benzyl N-[(2S)-4-amino-2-methyl-4-oxobutyl]carbamate

C13H18N2O3 — CID 118167943

IUPACbenzyl N-[(2S)-4-amino-2-methyl-4-oxobutyl]carbamate
SMILESC[C@H](CNC(=O)OCc1ccccc1)CC(N)=O
InChIInChI=1S/C13H18N2O3/c1-10(7-12(14)16)8-15-13(17)18-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H2,14,16)(H,15,17)/t10-/m0/s1
InChIKeySGLIQVFRSURAJN-JTQLQIEISA-N
MW250.30 g/mol
LogP1.42
Rot. Bonds6

About benzyl N-[(2S)-4-amino-2-methyl-4-oxobutyl]carbamate

benzyl N-[(2S)-4-amino-2-methyl-4-oxobutyl]carbamate (PubChem CID 118167943) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is benzyl N-[(2S)-4-amino-2-methyl-4-oxobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-4-amino-2-methyl-4-oxobutyl]carbamate
PubChem CID118167943
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namebenzyl N-[(2S)-4-amino-2-methyl-4-oxobutyl]carbamate
SMILESC[C@H](CNC(=O)OCc1ccccc1)CC(N)=O
InChIInChI=1S/C13H18N2O3/c1-10(7-12(14)16)8-15-13(17)18-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H2,14,16)(H,15,17)/t10-/m0/s1
InChIKeySGLIQVFRSURAJN-JTQLQIEISA-N
XLogP1.42
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze benzyl N-[(2S)-4-amino-2-methyl-4-oxobutyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-(2-amino-2-oxoethyl)carbamate;2-methylpropane
CID 169191565
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682
benzyl N-[(2R)-3-cyano-2-methylpropyl]carbamate
CID 70119870
2-hydroxy-5-methyl-6-(phenylmethoxycarbonylamino)hexanoic acid
CID 12647876
benzyl N-[(3S)-1-amino-4-methyl-1-oxopentan-3-yl]carbamate
CID 54429154
benzyl N-(2-amino-2-oxoethyl)carbamate
CID 69459510
benzyl N-(3-hydroxybutyl)carbamate
CID 54160471
benzyl N-[(2R)-2-(propan-2-ylamino)propyl]carbamate
CID 69087591
benzyl N-[2-(methylamino)-3-(phenylmethoxycarbonylamino)propyl]carbamate
CID 59366972
benzyl N-[(2S)-4-imino-2-methylbutyl]carbamate
CID 174656098
benzyl N-(2,6-dimethylhept-5-enyl)carbamate
CID 19049058
benzyl N-(2-methyl-3-oxo-3-phenylpropyl)carbamate
CID 10236470

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-4-amino-2-methyl-4-oxobutyl]carbamate?
The IUPAC name of benzyl N-[(2S)-4-amino-2-methyl-4-oxobutyl]carbamate (CID 118167943) is benzyl N-[(2S)-4-amino-2-methyl-4-oxobutyl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-4-amino-2-methyl-4-oxobutyl]carbamate?
The canonical SMILES for benzyl N-[(2S)-4-amino-2-methyl-4-oxobutyl]carbamate is C[C@H](CNC(=O)OCc1ccccc1)CC(N)=O.
What is the InChIKey of benzyl N-[(2S)-4-amino-2-methyl-4-oxobutyl]carbamate?
The InChIKey is SGLIQVFRSURAJN-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N2O3/c1-10(7-12(14)16)8-15-13(17)18-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H2,14,16)(H,15,17)/t10-/m0/s1.
What are the key properties of benzyl N-[(2S)-4-amino-2-methyl-4-oxobutyl]carbamate?
benzyl N-[(2S)-4-amino-2-methyl-4-oxobutyl]carbamate has a molecular weight of 250.30 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-4-amino-2-methyl-4-oxobutyl]carbamate is sourced from PubChem (CID 118167943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).