methyl 3-amino-1-benzylpyrrolidine-3-carboxylate

methyl 3-amino-1-benzylpyrrolidine-3-carboxylate

CAS: 145602-88-6

Formula: C13H18N2O2

SMILES: COC(=O)C1(N)CCN(CC2=CC=CC=C2)C1

IUPAC: methyl 3-amino-1-benzylpyrrolidine-3-carboxylate

InChI: InChI=1/C13H18N2O2/c1-17-12(16)13(14)7-8-15(10-13)9-11-5-3-2-4-6-11/h2-6H,7-10,14H2,1H3

Composition: C (66.64%), H (7.74%), N (11.96%), O (13.66%)

Molar Mass: 234.299

Atom Count: 35

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	234.136827828
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	YKDAFRKLQDUTAP-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.01
Topological Polar Surface Area	55.56
Polarizability	26.3
Ring Count	2
Rotatable Bond Count	4

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