2-(5-acetamido-2-nitrophenyl)acetic acid

C10H10N2O5 — CID 86172139

IUPAC2-(5-acetamido-2-nitrophenyl)acetic acid
SMILESCC(=O)Nc1ccc([N+](=O)[O-])c(CC(=O)O)c1
InChIInChI=1S/C10H10N2O5/c1-6(13)11-8-2-3-9(12(16)17)7(4-8)5-10(14)15/h2-4H,5H2,1H3,(H,11,13)(H,14,15)
InChIKeySWOXUCVYPJROHT-UHFFFAOYSA-N
MW238.20 g/mol
LogP1.18
Rot. Bonds4

About 2-(5-acetamido-2-nitrophenyl)acetic acid

2-(5-acetamido-2-nitrophenyl)acetic acid (PubChem CID 86172139) has the molecular formula C10H10N2O5 and a molecular weight of 238.20 g/mol. Its IUPAC name is 2-(5-acetamido-2-nitrophenyl)acetic acid.

Molecular Properties

Compound Name2-(5-acetamido-2-nitrophenyl)acetic acid
PubChem CID86172139
Molecular FormulaC10H10N2O5
Molecular Weight238.20 g/mol
Exact Mass238.06
IUPAC Name2-(5-acetamido-2-nitrophenyl)acetic acid
SMILESCC(=O)Nc1ccc([N+](=O)[O-])c(CC(=O)O)c1
InChIInChI=1S/C10H10N2O5/c1-6(13)11-8-2-3-9(12(16)17)7(4-8)5-10(14)15/h2-4H,5H2,1H3,(H,11,13)(H,14,15)
InChIKeySWOXUCVYPJROHT-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
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

(5-acetamido-2-nitrophenyl)methyl acetate
CID 12004239
N-(4-butyl-3-nitrophenyl)acetamide
CID 71393805
N-(8-nitronaphthalen-2-yl)acetamide
CID 615480
N-(5-nitronaphthalen-2-yl)acetamide
CID 825939
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-nitrophenyl]acetic acid
CID 10870180
2-(5-acetamido-2-phenylphenyl)acetic acid
CID 11708801
(3-nitro-4-propylphenyl)carbamic acid
CID 67247767
4-(4-ethyl-3-nitroanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992988
2-[5-acetamido-2-(carboxymethoxy)phenyl]acetic acid
CID 142628351
N-(3-amino-4-nitrophenyl)-3-oxobutanamide
CID 58722529
1-(2-nitro-5-sulfanylphenyl)propan-2-one
CID 131211757
3-(aminomethyl)-N-methyl-4-nitroaniline
CID 82503839

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetamido-2-nitrophenyl)acetic acid?
The IUPAC name of 2-(5-acetamido-2-nitrophenyl)acetic acid (CID 86172139) is 2-(5-acetamido-2-nitrophenyl)acetic acid.
What is the SMILES notation for 2-(5-acetamido-2-nitrophenyl)acetic acid?
The canonical SMILES for 2-(5-acetamido-2-nitrophenyl)acetic acid is CC(=O)Nc1ccc([N+](=O)[O-])c(CC(=O)O)c1.
What is the InChIKey of 2-(5-acetamido-2-nitrophenyl)acetic acid?
The InChIKey is SWOXUCVYPJROHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O5/c1-6(13)11-8-2-3-9(12(16)17)7(4-8)5-10(14)15/h2-4H,5H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 2-(5-acetamido-2-nitrophenyl)acetic acid?
2-(5-acetamido-2-nitrophenyl)acetic acid has a molecular weight of 238.20 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetamido-2-nitrophenyl)acetic acid is sourced from PubChem (CID 86172139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).