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309757-12-8 | Cyclopentanecarboxylic acid, 1-amino-2-(1-methylethyl)-, (1S,2R)-
CAS No: 309757-12-8 Catalog No: AG0031SZ MDL No:MFCD18832539
Product Description
Catalog Number:
AG0031SZ
Chemical Name:
Cyclopentanecarboxylic acid, 1-amino-2-(1-methylethyl)-, (1S,2R)-
CAS Number:
309757-12-8
Molecular Formula:
C9H17NO2
Molecular Weight:
171.2368
MDL Number:
MFCD18832539
IUPAC Name:
(1S,2R)-1-amino-2-propan-2-ylcyclopentane-1-carboxylic acid
InChI:
InChI=1S/C9H17NO2/c1-6(2)7-4-3-5-9(7,10)8(11)12/h6-7H,3-5,10H2,1-2H3,(H,11,12)/t7-,9+/m1/s1
InChI Key:
XTWVAQIFBDBUDU-APPZFPTMSA-N
SMILES:
CC([C@H]1CCC[C@@]1(N)C(=O)O)C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
2
Isotope Atom Count:
0
Molecular Weight:
171.24g/mol
Monoisotopic Mass:
171.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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