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1169946-94-4 | Cyclopentanepropanoic acid, α-amino-, methyl ester, (αS)-
CAS No: 1169946-94-4 Catalog No: AG000DGS MDL No:MFCD03094887
Product Description
Catalog Number:
AG000DGS
Chemical Name:
Cyclopentanepropanoic acid, α-amino-, methyl ester, (αS)-
CAS Number:
1169946-94-4
Molecular Formula:
C9H17NO2
Molecular Weight:
171.2368
MDL Number:
MFCD03094887
IUPAC Name:
methyl (2S)-2-amino-3-cyclopentylpropanoate
InChI:
InChI=1S/C9H17NO2/c1-12-9(11)8(10)6-7-4-2-3-5-7/h7-8H,2-6,10H2,1H3/t8-/m0/s1
InChI Key:
RZAFJDYKEFALQU-QMMMGPOBSA-N
SMILES:
COC(=O)[C@H](CC1CCCC1)N
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
171.126g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.24g/mol
Monoisotopic Mass:
171.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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