(2S)-N-hydroxy-3-(4-nitrophenyl)-2-(propylamino)propanamide

C12H17N3O4 — CID 87750218

IUPAC(2S)-N-hydroxy-3-(4-nitrophenyl)-2-(propylamino)propanamide
SMILESCCCN[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NO
InChIInChI=1S/C12H17N3O4/c1-2-7-13-11(12(16)14-17)8-9-3-5-10(6-4-9)15(18)19/h3-6,11,13,17H,2,7-8H2,1H3,(H,14,16)/t11-/m0/s1
InChIKeyCRNZZYPPUKKINP-NSHDSACASA-N
MW267.28 g/mol
LogP1.01
Rot. Bonds7

About (2S)-N-hydroxy-3-(4-nitrophenyl)-2-(propylamino)propanamide

(2S)-N-hydroxy-3-(4-nitrophenyl)-2-(propylamino)propanamide (PubChem CID 87750218) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is (2S)-N-hydroxy-3-(4-nitrophenyl)-2-(propylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-hydroxy-3-(4-nitrophenyl)-2-(propylamino)propanamide
PubChem CID87750218
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name(2S)-N-hydroxy-3-(4-nitrophenyl)-2-(propylamino)propanamide
SMILESCCCN[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NO
InChIInChI=1S/C12H17N3O4/c1-2-7-13-11(12(16)14-17)8-9-3-5-10(6-4-9)15(18)19/h3-6,11,13,17H,2,7-8H2,1H3,(H,14,16)/t11-/m0/s1
InChIKeyCRNZZYPPUKKINP-NSHDSACASA-N
XLogP1.01
TPSA104.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-3-(4-nitrophenyl)-2-(propan-2-ylamino)propanamide
CID 23148382
1-(4-nitrophenyl)-N-propylpentan-2-amine
CID 55138222
2-(hydroxyamino)-3-(4-nitrophenyl)propanoic acid
CID 87126063
(2R)-2-amino-N-(2-aminoethyl)-3-(4-nitrophenyl)propanamide
CID 129361681
methyl (2R)-2-(methylamino)-3-(4-nitrophenyl)propanoate
CID 134856926
N-[(2S)-1-(methylamino)-3-(4-nitrophenyl)-1-oxopropan-2-yl]hexanamide
CID 90920302
ethyl 2-[2-(4-nitrophenyl)ethylamino]pentanoate
CID 79037084
methyl 2-[2-(4-nitrophenyl)ethylamino]butanoate
CID 115353228
(2R)-2-acetamido-N-(3-hydroxypropyl)-3-(4-nitrophenyl)propanamide
CID 88742419
(2R)-2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-3-(4-nitrophenyl)propanoic acid
CID 69018193
ethyl (2R)-2-amino-3-(4-nitrophenyl)propanoate
CID 12608011
methane;methyl (2S)-2-methyl-3-(4-nitrophenyl)propanoate
CID 158629845

Frequently Asked Questions

What is the IUPAC name of (2S)-N-hydroxy-3-(4-nitrophenyl)-2-(propylamino)propanamide?
The IUPAC name of (2S)-N-hydroxy-3-(4-nitrophenyl)-2-(propylamino)propanamide (CID 87750218) is (2S)-N-hydroxy-3-(4-nitrophenyl)-2-(propylamino)propanamide.
What is the SMILES notation for (2S)-N-hydroxy-3-(4-nitrophenyl)-2-(propylamino)propanamide?
The canonical SMILES for (2S)-N-hydroxy-3-(4-nitrophenyl)-2-(propylamino)propanamide is CCCN[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NO.
What is the InChIKey of (2S)-N-hydroxy-3-(4-nitrophenyl)-2-(propylamino)propanamide?
The InChIKey is CRNZZYPPUKKINP-NSHDSACASA-N. The full InChI is InChI=1S/C12H17N3O4/c1-2-7-13-11(12(16)14-17)8-9-3-5-10(6-4-9)15(18)19/h3-6,11,13,17H,2,7-8H2,1H3,(H,14,16)/t11-/m0/s1.
What are the key properties of (2S)-N-hydroxy-3-(4-nitrophenyl)-2-(propylamino)propanamide?
(2S)-N-hydroxy-3-(4-nitrophenyl)-2-(propylamino)propanamide has a molecular weight of 267.28 g/mol, XLogP of 1.01, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-hydroxy-3-(4-nitrophenyl)-2-(propylamino)propanamide is sourced from PubChem (CID 87750218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).