(2S)-2-acetamido-2-(4-nitrophenyl)acetic acid

C10H10N2O5 — CID 14037273

IUPAC(2S)-2-acetamido-2-(4-nitrophenyl)acetic acid
SMILESCC(=O)N[C@H](C(=O)O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H10N2O5/c1-6(13)11-9(10(14)15)7-2-4-8(5-3-7)12(16)17/h2-5,9H,1H3,(H,11,13)(H,14,15)/t9-/m0/s1
InChIKeyCBWGGVSOZSVTEK-VIFPVBQESA-N
MW238.20 g/mol
LogP0.86
Rot. Bonds4

About (2S)-2-acetamido-2-(4-nitrophenyl)acetic acid

(2S)-2-acetamido-2-(4-nitrophenyl)acetic acid (PubChem CID 14037273) has the molecular formula C10H10N2O5 and a molecular weight of 238.20 g/mol. Its IUPAC name is (2S)-2-acetamido-2-(4-nitrophenyl)acetic acid.

Molecular Properties

Compound Name(2S)-2-acetamido-2-(4-nitrophenyl)acetic acid
PubChem CID14037273
Molecular FormulaC10H10N2O5
Molecular Weight238.20 g/mol
Exact Mass238.06
IUPAC Name(2S)-2-acetamido-2-(4-nitrophenyl)acetic acid
SMILESCC(=O)N[C@H](C(=O)O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H10N2O5/c1-6(13)11-9(10(14)15)7-2-4-8(5-3-7)12(16)17/h2-5,9H,1H3,(H,11,13)(H,14,15)/t9-/m0/s1
InChIKeyCBWGGVSOZSVTEK-VIFPVBQESA-N
XLogP0.86
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 50.86
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'}

Analyze (2S)-2-acetamido-2-(4-nitrophenyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S)-2-acetamido-3-(4-nitrophenyl)butanoic acid
CID 40558447
2-(3-acetamidopropylamino)-2-(4-nitrophenyl)acetic acid
CID 84747170
N-[1-(4-nitrophenyl)-2-oxoethyl]acetamide
CID 174881625
(2S)-2-acetamido-2-(4-aminophenyl)acetic acid
CID 14037276
2-(cyclopropylamino)-2-(4-nitrophenyl)acetic acid
CID 84747103
2-[[(E)-4-(4-nitroanilino)-4-oxobut-2-en-2-yl]amino]-2-phenylacetic acid
CID 20513762
2,2-bis(4-nitrophenyl)acetic acid
CID 12768595
N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
CID 4335
N-[(2-hydroxyphenyl)-(4-nitrophenyl)methyl]acetamide
CID 53412405
(2S)-2-[(4-nitrophenyl)carbamothioylamino]-2-phenylacetic acid
CID 175604373
(2S)-2-[(3,5-dinitrobenzoyl)amino]-2-phenylacetic acid;ethane
CID 144760970
(2R)-2-(4-nitrophenyl)-2-sulfoacetic acid
CID 88716025

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-2-(4-nitrophenyl)acetic acid?
The IUPAC name of (2S)-2-acetamido-2-(4-nitrophenyl)acetic acid (CID 14037273) is (2S)-2-acetamido-2-(4-nitrophenyl)acetic acid.
What is the SMILES notation for (2S)-2-acetamido-2-(4-nitrophenyl)acetic acid?
The canonical SMILES for (2S)-2-acetamido-2-(4-nitrophenyl)acetic acid is CC(=O)N[C@H](C(=O)O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2S)-2-acetamido-2-(4-nitrophenyl)acetic acid?
The InChIKey is CBWGGVSOZSVTEK-VIFPVBQESA-N. The full InChI is InChI=1S/C10H10N2O5/c1-6(13)11-9(10(14)15)7-2-4-8(5-3-7)12(16)17/h2-5,9H,1H3,(H,11,13)(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-acetamido-2-(4-nitrophenyl)acetic acid?
(2S)-2-acetamido-2-(4-nitrophenyl)acetic acid has a molecular weight of 238.20 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-2-(4-nitrophenyl)acetic acid is sourced from PubChem (CID 14037273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).