(2S)-N-hydroxy-4-methyl-2-(phenylcarbamoylamino)pentanamide

C13H19N3O3 — CID 71454149

IUPAC(2S)-N-hydroxy-4-methyl-2-(phenylcarbamoylamino)pentanamide
SMILESCC(C)C[C@H](NC(=O)Nc1ccccc1)C(=O)NO
InChIInChI=1S/C13H19N3O3/c1-9(2)8-11(12(17)16-19)15-13(18)14-10-6-4-3-5-7-10/h3-7,9,11,19H,8H2,1-2H3,(H,16,17)(H2,14,15,18)/t11-/m0/s1
InChIKeyUAOQQLAYOBSLMY-NSHDSACASA-N
MW265.31 g/mol
LogP1.73
Rot. Bonds5

About (2S)-N-hydroxy-4-methyl-2-(phenylcarbamoylamino)pentanamide

(2S)-N-hydroxy-4-methyl-2-(phenylcarbamoylamino)pentanamide (PubChem CID 71454149) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2S)-N-hydroxy-4-methyl-2-(phenylcarbamoylamino)pentanamide.

Molecular Properties

Compound Name(2S)-N-hydroxy-4-methyl-2-(phenylcarbamoylamino)pentanamide
PubChem CID71454149
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name(2S)-N-hydroxy-4-methyl-2-(phenylcarbamoylamino)pentanamide
SMILESCC(C)C[C@H](NC(=O)Nc1ccccc1)C(=O)NO
InChIInChI=1S/C13H19N3O3/c1-9(2)8-11(12(17)16-19)15-13(18)14-10-6-4-3-5-7-10/h3-7,9,11,19H,8H2,1-2H3,(H,16,17)(H2,14,15,18)/t11-/m0/s1
InChIKeyUAOQQLAYOBSLMY-NSHDSACASA-N
XLogP1.73
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.73
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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Frequently Asked Questions

What is the IUPAC name of (2S)-N-hydroxy-4-methyl-2-(phenylcarbamoylamino)pentanamide?
The IUPAC name of (2S)-N-hydroxy-4-methyl-2-(phenylcarbamoylamino)pentanamide (CID 71454149) is (2S)-N-hydroxy-4-methyl-2-(phenylcarbamoylamino)pentanamide.
What is the SMILES notation for (2S)-N-hydroxy-4-methyl-2-(phenylcarbamoylamino)pentanamide?
The canonical SMILES for (2S)-N-hydroxy-4-methyl-2-(phenylcarbamoylamino)pentanamide is CC(C)C[C@H](NC(=O)Nc1ccccc1)C(=O)NO.
What is the InChIKey of (2S)-N-hydroxy-4-methyl-2-(phenylcarbamoylamino)pentanamide?
The InChIKey is UAOQQLAYOBSLMY-NSHDSACASA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(2)8-11(12(17)16-19)15-13(18)14-10-6-4-3-5-7-10/h3-7,9,11,19H,8H2,1-2H3,(H,16,17)(H2,14,15,18)/t11-/m0/s1.
What are the key properties of (2S)-N-hydroxy-4-methyl-2-(phenylcarbamoylamino)pentanamide?
(2S)-N-hydroxy-4-methyl-2-(phenylcarbamoylamino)pentanamide has a molecular weight of 265.31 g/mol, XLogP of 1.73, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-hydroxy-4-methyl-2-(phenylcarbamoylamino)pentanamide is sourced from PubChem (CID 71454149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).