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4-methylpyrrolidine-3-carboxylic acid

4-methylpyrrolidine-3-carboxylic acid

CAS: 885952-85-2

Formula: C6H11NO2

SMILES: CC1CNCC1C(O)=O

IUPAC: 4-methylpyrrolidine-3-carboxylic acid

InChI: InChI=1/C6H11NO2/c1-4-2-7-3-5(4)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9)

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 2
Exact Mass 129.078978598
Formal Charge 0
FSP3 0.83
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey FLYSYPZJEXSTBV-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 32.79
Topological Polar Surface Area 49.33
Polarizability 13.12
Ring Count 1
Rotatable Bond Count 1

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