(2S)-3-methyl-2-(pyrrolidin-1-yl)butanoic acid

(2S)-3-methyl-2-(pyrrolidin-1-yl)butanoic acid

CAS: 777839-82-4

Formula: C9H17NO2

SMILES: CC(C)[C@H](N1CCCC1)C(O)=O

IUPAC: (2S)-3-methyl-2-(pyrrolidin-1-yl)butanoic acid

InChI: InChI=1S/C9H17NO2/c1-7(2)8(9(11)12)10-5-3-4-6-10/h7-8H,3-6H2,1-2H3,(H,11,12)/t8-/m0/s1

Composition: C (63.13%), H (10.01%), N (8.18%), O (18.69%)

Molar Mass: 171.24

Atom Count: 29

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	171.125928791
Formal Charge	0
FSP3	0.89
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	XXAWWQYJXDAKIM-QMMMGPOBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.1
Topological Polar Surface Area	40.54
Polarizability	18.62
Ring Count	1
Rotatable Bond Count	3

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