methyl (2S)-2-[(tert-butoxycarbonyl)amino]-3-carbamoylpropanoate

methyl (2S)-2-[(tert-butoxycarbonyl)amino]-3-carbamoylpropanoate

CAS: 124842-28-0

Formula: C10H18N2O5

SMILES: COC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C

IUPAC: methyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-carbamoylpropanoate

InChI: InChI=1S/C10H18N2O5/c1-10(2,3)17-9(15)12-6(5-7(11)13)8(14)16-4/h6H,5H2,1-4H3,(H2,11,13)(H,12,15)/t6-/m0/s1

Composition: C (48.77%), H (7.37%), N (11.38%), O (32.48%)

Molar Mass: 246.263

Atom Count: 35

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	246.121571688
Formal Charge	0
FSP3	0.7
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	WBCWYEJCFYVRMG-LURJTMIESA-N
Lipinski's Rule of Five	1
Molar Refractivity	58
Topological Polar Surface Area	107.72
Polarizability	23.19
Ring Count	0
Rotatable Bond Count	7

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