[(2R)-1-amino-1-oxobutan-2-yl] N-benzylcarbamate

C12H16N2O3 — CID 175581650

IUPAC[(2R)-1-amino-1-oxobutan-2-yl] N-benzylcarbamate
SMILESCC[C@@H](OC(=O)NCc1ccccc1)C(N)=O
InChIInChI=1S/C12H16N2O3/c1-2-10(11(13)15)17-12(16)14-8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H2,13,15)(H,14,16)/t10-/m1/s1
InChIKeyHIAXVMCRCFLXIK-SNVBAGLBSA-N
MW236.27 g/mol
LogP1.18
Rot. Bonds5

About [(2R)-1-amino-1-oxobutan-2-yl] N-benzylcarbamate

[(2R)-1-amino-1-oxobutan-2-yl] N-benzylcarbamate (PubChem CID 175581650) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is [(2R)-1-amino-1-oxobutan-2-yl] N-benzylcarbamate.

Molecular Properties

Compound Name[(2R)-1-amino-1-oxobutan-2-yl] N-benzylcarbamate
PubChem CID175581650
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name[(2R)-1-amino-1-oxobutan-2-yl] N-benzylcarbamate
SMILESCC[C@@H](OC(=O)NCc1ccccc1)C(N)=O
InChIInChI=1S/C12H16N2O3/c1-2-10(11(13)15)17-12(16)14-8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H2,13,15)(H,14,16)/t10-/m1/s1
InChIKeyHIAXVMCRCFLXIK-SNVBAGLBSA-N
XLogP1.18
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-amino-1-oxopentan-2-yl] N-benzylcarbamate
CID 175581620
benzene;ethyl N-benzylcarbamate
CID 67715166
[(1S)-2-amino-1-cyclopropyl-2-oxoethyl] N-benzylcarbamate
CID 175144883
1-phenylmethoxybutan-2-yl N-benzylcarbamate
CID 101250617
but-3-en-2-yl N-benzylcarbamate
CID 130012657
2-ethylpentyl N-benzylcarbamate
CID 58269941
[1-(2-aminoethylamino)-1-oxopropan-2-yl] N-benzylcarbamate
CID 162689535
2-[(benzylamino)methyl]butanamide
CID 71433052
(4-bromo-3-oxobutan-2-yl) N-benzylcarbamate
CID 123160195
(2S)-2-(benzylamino)butanamide
CID 131998527
(4-propan-2-ylphenyl)methyl N-benzylcarbamate
CID 141057085
[2-(benzylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate
CID 7555759

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-amino-1-oxobutan-2-yl] N-benzylcarbamate?
The IUPAC name of [(2R)-1-amino-1-oxobutan-2-yl] N-benzylcarbamate (CID 175581650) is [(2R)-1-amino-1-oxobutan-2-yl] N-benzylcarbamate.
What is the SMILES notation for [(2R)-1-amino-1-oxobutan-2-yl] N-benzylcarbamate?
The canonical SMILES for [(2R)-1-amino-1-oxobutan-2-yl] N-benzylcarbamate is CC[C@@H](OC(=O)NCc1ccccc1)C(N)=O.
What is the InChIKey of [(2R)-1-amino-1-oxobutan-2-yl] N-benzylcarbamate?
The InChIKey is HIAXVMCRCFLXIK-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-2-10(11(13)15)17-12(16)14-8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H2,13,15)(H,14,16)/t10-/m1/s1.
What are the key properties of [(2R)-1-amino-1-oxobutan-2-yl] N-benzylcarbamate?
[(2R)-1-amino-1-oxobutan-2-yl] N-benzylcarbamate has a molecular weight of 236.27 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-amino-1-oxobutan-2-yl] N-benzylcarbamate is sourced from PubChem (CID 175581650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).