benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)-N-hydroxycarbamate

C14H20N2O4 — CID 174607780

IUPACbenzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)-N-hydroxycarbamate
SMILESCC(C)CC(C(N)=O)N(O)C(=O)OCc1ccccc1
InChIInChI=1S/C14H20N2O4/c1-10(2)8-12(13(15)17)16(19)14(18)20-9-11-6-4-3-5-7-11/h3-7,10,12,19H,8-9H2,1-2H3,(H2,15,17)
InChIKeyICZNEQNDCRMPJM-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.91
Rot. Bonds6

About benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)-N-hydroxycarbamate

benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)-N-hydroxycarbamate (PubChem CID 174607780) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)-N-hydroxycarbamate.

Molecular Properties

Compound Namebenzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)-N-hydroxycarbamate
PubChem CID174607780
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namebenzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)-N-hydroxycarbamate
SMILESCC(C)CC(C(N)=O)N(O)C(=O)OCc1ccccc1
InChIInChI=1S/C14H20N2O4/c1-10(2)8-12(13(15)17)16(19)14(18)20-9-11-6-4-3-5-7-11/h3-7,10,12,19H,8-9H2,1-2H3,(H2,15,17)
InChIKeyICZNEQNDCRMPJM-UHFFFAOYSA-N
XLogP1.91
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl 2-[ethyl(methyl)amino]-4-methylpentanoate
CID 142105808
CID 87647467
CID 87647467
2-[(2-amino-3-hydroxypropanoyl)-phenylmethoxycarbonylamino]-4-methylpentanoic acid
CID 70470056
2-[(2-amino-3-phenylpropanoyl)-phenylmethoxycarbonylamino]-4-methylpentanoic acid
CID 70369106
(2S)-4-methyl-2-phenylmethoxypentanamide
CID 141033880
4-methyl-2-phenylmethoxycarbonylpentanoic acid
CID 54223940
(2R)-4-methyl-2-[phenylmethoxycarbonyl-[2-(phenylmethoxycarbonylamino)ethyl]amino]pentanoic acid
CID 11744070
benzyl N-ethyl-N-(2-methylpropyl)carbamate
CID 130580876
benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)carbamate
CID 5147892
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl 2-amino-4-methylpentanoate;hydrochloride
CID 19885596
2-[bis(phenylmethoxycarbonyl)amino]propanoic acid
CID 18466015

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)-N-hydroxycarbamate?
The IUPAC name of benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)-N-hydroxycarbamate (CID 174607780) is benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)-N-hydroxycarbamate.
What is the SMILES notation for benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)-N-hydroxycarbamate?
The canonical SMILES for benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)-N-hydroxycarbamate is CC(C)CC(C(N)=O)N(O)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)-N-hydroxycarbamate?
The InChIKey is ICZNEQNDCRMPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10(2)8-12(13(15)17)16(19)14(18)20-9-11-6-4-3-5-7-11/h3-7,10,12,19H,8-9H2,1-2H3,(H2,15,17).
What are the key properties of benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)-N-hydroxycarbamate?
benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)-N-hydroxycarbamate has a molecular weight of 280.32 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)-N-hydroxycarbamate is sourced from PubChem (CID 174607780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).