(2R)-2-amino-N-[4-[hydroxy(oxido)amino]phenyl]-4-methylpentanamide

C12H18N3O3- — CID 163140404

IUPAC(2R)-2-amino-N-[4-[hydroxy(oxido)amino]phenyl]-4-methylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)Nc1ccc(N([O-])O)cc1
InChIInChI=1S/C12H18N3O3/c1-8(2)7-11(13)12(16)14-9-3-5-10(6-4-9)15(17)18/h3-6,8,11,17H,7,13H2,1-2H3,(H,14,16)/q-1/t11-/m1/s1
InChIKeyMGSYWCNHLYZETI-LLVKDONJSA-N
MW252.29 g/mol
LogP1.69
Rot. Bonds5

About (2R)-2-amino-N-[4-[hydroxy(oxido)amino]phenyl]-4-methylpentanamide

(2R)-2-amino-N-[4-[hydroxy(oxido)amino]phenyl]-4-methylpentanamide (PubChem CID 163140404) has the molecular formula C12H18N3O3- and a molecular weight of 252.29 g/mol. Its IUPAC name is (2R)-2-amino-N-[4-[hydroxy(oxido)amino]phenyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[4-[hydroxy(oxido)amino]phenyl]-4-methylpentanamide
PubChem CID163140404
Molecular FormulaC12H18N3O3-
Molecular Weight252.29 g/mol
Exact Mass252.14
IUPAC Name(2R)-2-amino-N-[4-[hydroxy(oxido)amino]phenyl]-4-methylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)Nc1ccc(N([O-])O)cc1
InChIInChI=1S/C12H18N3O3/c1-8(2)7-11(13)12(16)14-9-3-5-10(6-4-9)15(17)18/h3-6,8,11,17H,7,13H2,1-2H3,(H,14,16)/q-1/t11-/m1/s1
InChIKeyMGSYWCNHLYZETI-LLVKDONJSA-N
XLogP1.69
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
CID 22768242
2-amino-4-methyl-N-(4-propan-2-ylphenyl)pentanamide
CID 24696711
(2S)-2-amino-4-methyl-N-(4-methylsulfonylphenyl)pentanamide
CID 61148804
(2R)-2-amino-4-methyl-N-(4-nitrophenyl)pentanamide
CID 7269396
(2S)-2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-4-methylpentanamide
CID 119885345
(2S)-2-amino-4-methyl-N-(4-propan-2-yloxyphenyl)pentanamide
CID 22691065
N-[4-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide
CID 61252642
3-[4-[[(2R)-2-amino-4-methylpentanoyl]amino]phenyl]butanoic acid
CID 104903971
(2S)-2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]pentanamide;hydrochloride
CID 119701898
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-phenylbenzamide
CID 119756457
2-[4-[[(2R)-2-amino-4-methylpentanoyl]amino]phenyl]-2-methylpropanoic acid
CID 104903758
(2S)-N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-2-amino-4-methylpentanamide
CID 119792493

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[4-[hydroxy(oxido)amino]phenyl]-4-methylpentanamide?
The IUPAC name of (2R)-2-amino-N-[4-[hydroxy(oxido)amino]phenyl]-4-methylpentanamide (CID 163140404) is (2R)-2-amino-N-[4-[hydroxy(oxido)amino]phenyl]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-[4-[hydroxy(oxido)amino]phenyl]-4-methylpentanamide?
The canonical SMILES for (2R)-2-amino-N-[4-[hydroxy(oxido)amino]phenyl]-4-methylpentanamide is CC(C)C[C@@H](N)C(=O)Nc1ccc(N([O-])O)cc1.
What is the InChIKey of (2R)-2-amino-N-[4-[hydroxy(oxido)amino]phenyl]-4-methylpentanamide?
The InChIKey is MGSYWCNHLYZETI-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18N3O3/c1-8(2)7-11(13)12(16)14-9-3-5-10(6-4-9)15(17)18/h3-6,8,11,17H,7,13H2,1-2H3,(H,14,16)/q-1/t11-/m1/s1.
What are the key properties of (2R)-2-amino-N-[4-[hydroxy(oxido)amino]phenyl]-4-methylpentanamide?
(2R)-2-amino-N-[4-[hydroxy(oxido)amino]phenyl]-4-methylpentanamide has a molecular weight of 252.29 g/mol, XLogP of 1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[4-[hydroxy(oxido)amino]phenyl]-4-methylpentanamide is sourced from PubChem (CID 163140404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).