2-(N-acetyl-4-nitroanilino)acetic acid

C10H10N2O5 — CID 5065360

IUPAC2-(N-acetyl-4-nitroanilino)acetic acid
SMILESCC(=O)N(CC(=O)O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H10N2O5/c1-7(13)11(6-10(14)15)8-2-4-9(5-3-8)12(16)17/h2-5H,6H2,1H3,(H,14,15)
InChIKeyAIDUVQSRLOCSLR-UHFFFAOYSA-N
MW238.20 g/mol
LogP1.03
Rot. Bonds4

About 2-(N-acetyl-4-nitroanilino)acetic acid

2-(N-acetyl-4-nitroanilino)acetic acid (PubChem CID 5065360) has the molecular formula C10H10N2O5 and a molecular weight of 238.20 g/mol. Its IUPAC name is 2-(N-acetyl-4-nitroanilino)acetic acid.

Molecular Properties

Compound Name2-(N-acetyl-4-nitroanilino)acetic acid
PubChem CID5065360
Molecular FormulaC10H10N2O5
Molecular Weight238.20 g/mol
Exact Mass238.06
IUPAC Name2-(N-acetyl-4-nitroanilino)acetic acid
SMILESCC(=O)N(CC(=O)O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H10N2O5/c1-7(13)11(6-10(14)15)8-2-4-9(5-3-8)12(16)17/h2-5H,6H2,1H3,(H,14,15)
InChIKeyAIDUVQSRLOCSLR-UHFFFAOYSA-N
XLogP1.03
TPSA100.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 51.03
H-Bond Donors ≤ 51
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

2-((1-Methylethyl)phenylamino)-2-oxoacetic acid
CID 155385
Glycine, N-(m-nitrophenyl)-
CID 25089
Glycine, N-(4-nitrophenyl)-
CID 12095
N-Phenyliminodiacetic acid
CID 136915
Glycine, N-acetyl-N-phenyl-
CID 68483
2-((4-Nitrophenyl)amino)-2-oxoacetic acid
CID 7686
Acetamide, N-ethyl-N-(4-nitrophenyl)-
CID 74583
1-Acetyl-4-(4-nitrophenyl)piperazine
CID 2865149
N,N,N',N'-1,4-Phenylenediaminetetraacetic acid
CID 3513417
N-methyl-N-(4-nitrophenyl)acetamide
CID 67143
Ethanol, 2,2'-((4-nitrophenyl)imino)bis-
CID 87515
Acetanilide, 2-(diethylamino)-4'-nitro-
CID 53122

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-nitroanilino)acetic acid?
The IUPAC name of 2-(N-acetyl-4-nitroanilino)acetic acid (CID 5065360) is 2-(N-acetyl-4-nitroanilino)acetic acid.
What is the SMILES notation for 2-(N-acetyl-4-nitroanilino)acetic acid?
The canonical SMILES for 2-(N-acetyl-4-nitroanilino)acetic acid is CC(=O)N(CC(=O)O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(N-acetyl-4-nitroanilino)acetic acid?
The InChIKey is AIDUVQSRLOCSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O5/c1-7(13)11(6-10(14)15)8-2-4-9(5-3-8)12(16)17/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of 2-(N-acetyl-4-nitroanilino)acetic acid?
2-(N-acetyl-4-nitroanilino)acetic acid has a molecular weight of 238.20 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-nitroanilino)acetic acid is sourced from PubChem (CID 5065360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).