(2S)-2-(benzylcarbamoylamino)-N-hydroxy-4-methylpentanamide

C14H21N3O3 — CID 50913428

IUPAC(2S)-2-(benzylcarbamoylamino)-N-hydroxy-4-methylpentanamide
SMILESCC(C)C[C@H](NC(=O)NCc1ccccc1)C(=O)NO
InChIInChI=1S/C14H21N3O3/c1-10(2)8-12(13(18)17-20)16-14(19)15-9-11-6-4-3-5-7-11/h3-7,10,12,20H,8-9H2,1-2H3,(H,17,18)(H2,15,16,19)/t12-/m0/s1
InChIKeyPDSXOKWGOMWNSE-LBPRGKRZSA-N
MW279.34 g/mol
LogP1.41
Rot. Bonds6

About (2S)-2-(benzylcarbamoylamino)-N-hydroxy-4-methylpentanamide

(2S)-2-(benzylcarbamoylamino)-N-hydroxy-4-methylpentanamide (PubChem CID 50913428) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2S)-2-(benzylcarbamoylamino)-N-hydroxy-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-(benzylcarbamoylamino)-N-hydroxy-4-methylpentanamide
PubChem CID50913428
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name(2S)-2-(benzylcarbamoylamino)-N-hydroxy-4-methylpentanamide
SMILESCC(C)C[C@H](NC(=O)NCc1ccccc1)C(=O)NO
InChIInChI=1S/C14H21N3O3/c1-10(2)8-12(13(18)17-20)16-14(19)15-9-11-6-4-3-5-7-11/h3-7,10,12,20H,8-9H2,1-2H3,(H,17,18)(H2,15,16,19)/t12-/m0/s1
InChIKeyPDSXOKWGOMWNSE-LBPRGKRZSA-N
XLogP1.41
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

Phenylhydantoin
CID 1002
3-((benzyl)(methylaminocarbonyl)methylaminocarbonyl)N-hydroxy-5-methylhexanamide
CID 194777
Leucyl-phenylalanine amide
CID 3082491
N-(Benzylcarbamoyl)-leucyl-methylazaalanine-nitrile
CID 50994058
Smac peptido-mimetic 1
CID 11200722
[(1R)-1-[[(2S)-2-(benzylcarbamoylamino)-3-phenylpropanoyl]amino]-3-methylbutyl]boronic acid
CID 44583022
N~2~-(cyclohexylcarbonyl)-N-(1-phenylethyl)leucinamide
CID 16003816
N1-benzyl-N3-hydroxy-2-isobutylmalonamide
CID 16116576
(2S)-2-[(2-chlorophenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide
CID 71584672
(2S)-2-[(3-chlorophenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide
CID 71584675
(2S)-2-[(3,4-dimethylphenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide
CID 127040559
(2S)-2-[(2,3-dimethylphenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide
CID 127042772

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzylcarbamoylamino)-N-hydroxy-4-methylpentanamide?
The IUPAC name of (2S)-2-(benzylcarbamoylamino)-N-hydroxy-4-methylpentanamide (CID 50913428) is (2S)-2-(benzylcarbamoylamino)-N-hydroxy-4-methylpentanamide.
What is the SMILES notation for (2S)-2-(benzylcarbamoylamino)-N-hydroxy-4-methylpentanamide?
The canonical SMILES for (2S)-2-(benzylcarbamoylamino)-N-hydroxy-4-methylpentanamide is CC(C)C[C@H](NC(=O)NCc1ccccc1)C(=O)NO.
What is the InChIKey of (2S)-2-(benzylcarbamoylamino)-N-hydroxy-4-methylpentanamide?
The InChIKey is PDSXOKWGOMWNSE-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10(2)8-12(13(18)17-20)16-14(19)15-9-11-6-4-3-5-7-11/h3-7,10,12,20H,8-9H2,1-2H3,(H,17,18)(H2,15,16,19)/t12-/m0/s1.
What are the key properties of (2S)-2-(benzylcarbamoylamino)-N-hydroxy-4-methylpentanamide?
(2S)-2-(benzylcarbamoylamino)-N-hydroxy-4-methylpentanamide has a molecular weight of 279.34 g/mol, XLogP of 1.41, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzylcarbamoylamino)-N-hydroxy-4-methylpentanamide is sourced from PubChem (CID 50913428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).