1-carbamimidoylpiperidine-4-carboxylic acid

1-carbamimidoylpiperidine-4-carboxylic acid

CAS: 135322-16-6

Formula: C7H13N3O2

SMILES: NC(=N)N1CCC(CC1)C(O)=O

IUPAC: 1-carbamimidoylpiperidine-4-carboxylic acid

InChI: InChI=1S/C7H13N3O2/c8-7(9)10-3-1-5(2-4-10)6(11)12/h5H,1-4H2,(H3,8,9)(H,11,12)

Composition: C (49.11%), H (7.65%), N (24.54%), O (18.69%)

Molar Mass: 171.2

Atom Count: 25

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	171.100776671
Formal Charge	0
FSP3	0.71
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	DCYAOXOBKROXKE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.31
Topological Polar Surface Area	90.41
Polarizability	16.49
Ring Count	1
Rotatable Bond Count	1

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