(3S)-1-methylpyrrolidine-3-carboxylic acid

(3S)-1-methylpyrrolidine-3-carboxylic acid

CAS: 952484-58-1

Formula: C6H11NO2

SMILES: CN1CC[C@@H](C1)C(O)=O

IUPAC: (3S)-1-methylpyrrolidine-3-carboxylic acid

InChI: InChI=1S/C6H11NO2/c1-7-3-2-5(4-7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1

Composition: C (55.80%), H (8.58%), N (10.84%), O (24.77%)

Molar Mass: 129.159

Atom Count: 20

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	129.078978598
Formal Charge	0
FSP3	0.83
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	LJGFIWDOHOWUOY-YFKPBYRVSA-N
Lipinski's Rule of Five	1
Molar Refractivity	33.61
Topological Polar Surface Area	40.54
Polarizability	13.12
Ring Count	1
Rotatable Bond Count	1

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