(2S)-N-hydroxy-4-methyl-2-[[methyl(phenyl)phosphoryl]amino]pentanamide

C13H21N2O3P — CID 129387880

IUPAC(2S)-N-hydroxy-4-methyl-2-[[methyl(phenyl)phosphoryl]amino]pentanamide
SMILESCC(C)C[C@H](N[P@](C)(=O)c1ccccc1)C(=O)NO
InChIInChI=1S/C13H21N2O3P/c1-10(2)9-12(13(16)14-17)15-19(3,18)11-7-5-4-6-8-11/h4-8,10,12,17H,9H2,1-3H3,(H,14,16)(H,15,18)/t12-,19+/m0/s1
InChIKeyVERLVIKCRNRVAE-HXPMCKFVSA-N
MW284.30 g/mol
LogP1.73
Rot. Bonds6

About (2S)-N-hydroxy-4-methyl-2-[[methyl(phenyl)phosphoryl]amino]pentanamide

(2S)-N-hydroxy-4-methyl-2-[[methyl(phenyl)phosphoryl]amino]pentanamide (PubChem CID 129387880) has the molecular formula C13H21N2O3P and a molecular weight of 284.30 g/mol. Its IUPAC name is (2S)-N-hydroxy-4-methyl-2-[[methyl(phenyl)phosphoryl]amino]pentanamide.

Molecular Properties

Compound Name(2S)-N-hydroxy-4-methyl-2-[[methyl(phenyl)phosphoryl]amino]pentanamide
PubChem CID129387880
Molecular FormulaC13H21N2O3P
Molecular Weight284.30 g/mol
Exact Mass284.13
IUPAC Name(2S)-N-hydroxy-4-methyl-2-[[methyl(phenyl)phosphoryl]amino]pentanamide
SMILESCC(C)C[C@H](N[P@](C)(=O)c1ccccc1)C(=O)NO
InChIInChI=1S/C13H21N2O3P/c1-10(2)9-12(13(16)14-17)15-19(3,18)11-7-5-4-6-8-11/h4-8,10,12,17H,9H2,1-3H3,(H,14,16)(H,15,18)/t12-,19+/m0/s1
InChIKeyVERLVIKCRNRVAE-HXPMCKFVSA-N
XLogP1.73
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 51.73
H-Bond Donors ≤ 53
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[benzyl-[methyl(phenyl)phosphoryl]amino]-N-hydroxy-4-methylpentanamide
CID 4328
N-[methyl(phenyl)phosphoryl]butan-2-amine
CID 15424710
2-bromo-N-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 163212007
(2R)-2-(2,2-diphenylpropanoylamino)-N-hydroxy-4-methylpentanamide
CID 163211996
(2R)-2-[[hydroxy(phenyl)phosphoryl]methylamino]-4-methylpentanoic acid
CID 15939366
N-hydroxy-2-(iodoamino)-4-methylpentanamide
CID 88849243
2-methoxyethyl (2R)-2-[[(2R)-2-[(2S)-1-(hydroxyamino)-1-oxopropan-2-yl]-4-methylpentanoyl]amino]-3-phenylpropanoate
CID 59914943
2-methoxyethyl (2S)-2-[[(2R)-2-[(2S)-1-(hydroxyamino)-1-oxopropan-2-yl]-4-methylpentanoyl]amino]-3-phenylpropanoate
CID 59050300
benzyl (2S)-2-[[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-4-methylpentanoate
CID 59050280
(2S)-2,4-dimethyl-N-naphthalen-2-ylpentanamide
CID 58642005
N-[4-methyl-1-(naphthalen-2-ylamino)-1-oxopentan-2-yl]benzamide
CID 3024355
2-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]benzoic acid
CID 60940712

Frequently Asked Questions

What is the IUPAC name of (2S)-N-hydroxy-4-methyl-2-[[methyl(phenyl)phosphoryl]amino]pentanamide?
The IUPAC name of (2S)-N-hydroxy-4-methyl-2-[[methyl(phenyl)phosphoryl]amino]pentanamide (CID 129387880) is (2S)-N-hydroxy-4-methyl-2-[[methyl(phenyl)phosphoryl]amino]pentanamide.
What is the SMILES notation for (2S)-N-hydroxy-4-methyl-2-[[methyl(phenyl)phosphoryl]amino]pentanamide?
The canonical SMILES for (2S)-N-hydroxy-4-methyl-2-[[methyl(phenyl)phosphoryl]amino]pentanamide is CC(C)C[C@H](N[P@](C)(=O)c1ccccc1)C(=O)NO.
What is the InChIKey of (2S)-N-hydroxy-4-methyl-2-[[methyl(phenyl)phosphoryl]amino]pentanamide?
The InChIKey is VERLVIKCRNRVAE-HXPMCKFVSA-N. The full InChI is InChI=1S/C13H21N2O3P/c1-10(2)9-12(13(16)14-17)15-19(3,18)11-7-5-4-6-8-11/h4-8,10,12,17H,9H2,1-3H3,(H,14,16)(H,15,18)/t12-,19+/m0/s1.
What are the key properties of (2S)-N-hydroxy-4-methyl-2-[[methyl(phenyl)phosphoryl]amino]pentanamide?
(2S)-N-hydroxy-4-methyl-2-[[methyl(phenyl)phosphoryl]amino]pentanamide has a molecular weight of 284.30 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-hydroxy-4-methyl-2-[[methyl(phenyl)phosphoryl]amino]pentanamide is sourced from PubChem (CID 129387880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).