(2S)-2-amino-6-{[(benzyloxy)carbonyl]amino}hexanoic acid

(2S)-2-amino-6-{[(benzyloxy)carbonyl]amino}hexanoic acid

CAS: 1155-64-2

Formula: C14H20N2O4

SMILES: N[C@@H](CCCCNC(=O)OCC1=CC=CC=C1)C(O)=O

IUPAC: (2S)-2-amino-6-{[(benzyloxy)carbonyl]amino}hexanoic acid

InChI: InChI=1S/C14H20N2O4/c15-12(13(17)18)8-4-5-9-16-14(19)20-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,15H2,(H,16,19)(H,17,18)/t12-/m0/s1

Composition: C (59.99%), H (7.19%), N (9.99%), O (22.83%)

Molar Mass: 280.324

Atom Count: 40

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	280.142307132
Formal Charge	0
FSP3	0.43
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	CKGCFBNYQJDIGS-LBPRGKRZSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.49
Topological Polar Surface Area	101.65
Polarizability	29.02
Ring Count	1
Rotatable Bond Count	9

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