CAS 16277-06-8 | Proline, 2-methyl- | CAS Number 16277-06-8

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16277-06-8 | Proline, 2-methyl-

CAS No: 16277-06-8 Catalog No: AG001TF9 MDL No:MFCD01318632

Product Description

Catalog Number:

AG001TF9

Chemical Name:

Proline, 2-methyl-

CAS Number:

16277-06-8

Molecular Formula:

C6H11NO2

Molecular Weight:

129.1570

MDL Number:

MFCD01318632

IUPAC Name:

2-methylpyrrolidine-2-carboxylic acid

InChI:

InChI=1S/C6H11NO2/c1-6(5(8)9)3-2-4-7-6/h7H,2-4H2,1H3,(H,8,9)

InChI Key:

LWHHAVWYGIBIEU-UHFFFAOYSA-N

SMILES:

OC(=O)[C@]1(C)CCCN1

NSC Number:

14964

Properties

Complexity:

135

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

129.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

129.159g/mol

Monoisotopic Mass:

129.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-2.2

Literature

Title	Journal
Effects of ring contraction on the conformational preferences of α-substituted proline analogs.	Biopolymers 20120101
Is the backbone conformation of C(alpha)-methyl proline restricted to a single region?	Chemistry (Weinheim an der Bergstrasse, Germany) 20090810
C(alpha)-methyl proline: a unique example of split personality.	Biopolymers 20080501
Two novel hexadepsipeptides with several modified amino acid residues isolated from the fungus Isaria.	Chemistry & biodiversity 20040301