(2R)-2-amino-4-methyl-N-(4-nitrophenyl)pentanamide

C12H17N3O3 — CID 7269396

IUPAC(2R)-2-amino-4-methyl-N-(4-nitrophenyl)pentanamide
SMILESCC(C)C[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H17N3O3/c1-8(2)7-11(13)12(16)14-9-3-5-10(6-4-9)15(17)18/h3-6,8,11H,7,13H2,1-2H3,(H,14,16)/t11-/m1/s1
InChIKeyAXZJHDNQDSVIDR-LLVKDONJSA-N
MW251.29 g/mol
LogP1.91
Rot. Bonds5

About (2R)-2-amino-4-methyl-N-(4-nitrophenyl)pentanamide

(2R)-2-amino-4-methyl-N-(4-nitrophenyl)pentanamide (PubChem CID 7269396) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is (2R)-2-amino-4-methyl-N-(4-nitrophenyl)pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methyl-N-(4-nitrophenyl)pentanamide
PubChem CID7269396
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name(2R)-2-amino-4-methyl-N-(4-nitrophenyl)pentanamide
SMILESCC(C)C[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H17N3O3/c1-8(2)7-11(13)12(16)14-9-3-5-10(6-4-9)15(17)18/h3-6,8,11H,7,13H2,1-2H3,(H,14,16)/t11-/m1/s1
InChIKeyAXZJHDNQDSVIDR-LLVKDONJSA-N
XLogP1.91
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-amino-4-(4-nitroanilino)-4-oxobutanoic acid
CID 22859396
2-amino-N-(4-nitrophenyl)butanediamide
CID 54928056
2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
CID 22768242
(2S)-2-amino-4-methyl-N-(2-methyl-4-nitrophenyl)pentanamide
CID 61178947
(2S)-2-amino-N-(3-fluoro-5-nitrophenyl)-4-methylpentanamide
CID 107335024
(2R)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S)-2,6-diamino-N-(4-nitrophenyl)hexanamide
CID 158153530
2-amino-4-methyl-N-(4-propan-2-ylphenyl)pentanamide
CID 24696711
(2S)-2-amino-4-methyl-N-(4-methylsulfonylphenyl)pentanamide
CID 61148804
(2R)-2,6-diamino-N-(4-nitrophenyl)hexanamide
CID 25200925
(2S)-2-amino-N-(2-methoxy-4-nitrophenyl)-4-methylpentanamide
CID 61179493
(2S)-2-amino-4-methyl-N-[(E)-2-(4-nitrophenyl)ethylideneamino]pentanamide
CID 56934013
2-amino-N-(2-methoxy-5-nitrophenyl)-4-methylpentanamide
CID 43426915

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methyl-N-(4-nitrophenyl)pentanamide?
The IUPAC name of (2R)-2-amino-4-methyl-N-(4-nitrophenyl)pentanamide (CID 7269396) is (2R)-2-amino-4-methyl-N-(4-nitrophenyl)pentanamide.
What is the SMILES notation for (2R)-2-amino-4-methyl-N-(4-nitrophenyl)pentanamide?
The canonical SMILES for (2R)-2-amino-4-methyl-N-(4-nitrophenyl)pentanamide is CC(C)C[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2R)-2-amino-4-methyl-N-(4-nitrophenyl)pentanamide?
The InChIKey is AXZJHDNQDSVIDR-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8(2)7-11(13)12(16)14-9-3-5-10(6-4-9)15(17)18/h3-6,8,11H,7,13H2,1-2H3,(H,14,16)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-4-methyl-N-(4-nitrophenyl)pentanamide?
(2R)-2-amino-4-methyl-N-(4-nitrophenyl)pentanamide has a molecular weight of 251.29 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methyl-N-(4-nitrophenyl)pentanamide is sourced from PubChem (CID 7269396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).