(2R)-1-methylpyrrolidine-2-carboxylic acid hydrate

(2R)-1-methylpyrrolidine-2-carboxylic acid hydrate

CAS: 1217447-61-4

Formula: C6H13NO3

SMILES: O.CN1CCC[C@@H]1C(O)=O

IUPAC: (2R)-1-methylpyrrolidine-2-carboxylic acid hydrate

InChI: InChI=1S/C6H11NO2.H2O/c1-7-4-2-3-5(7)6(8)9;/h5H,2-4H2,1H3,(H,8,9);1H2/t5-;/m0./s1

Composition: C (48.97%), H (8.90%), N (9.52%), O (32.61%)

Molar Mass: 147.174

Atom Count: 23

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	147.089543283
Formal Charge	0
FSP3	0.83
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	IXBKFJZWNAVSHW-NUBCRITNSA-N
Lipinski's Rule of Five	1
Molar Refractivity	33.36
Topological Polar Surface Area	40.54
Polarizability	13.12
Ring Count	1
Rotatable Bond Count	1

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