2-[methyl-(5-methyl-2-nitrobenzoyl)amino]acetic acid

C11H12N2O5 — CID 65461207

IUPAC2-[methyl-(5-methyl-2-nitrobenzoyl)amino]acetic acid
SMILESCc1ccc([N+](=O)[O-])c(C(=O)N(C)CC(=O)O)c1
InChIInChI=1S/C11H12N2O5/c1-7-3-4-9(13(17)18)8(5-7)11(16)12(2)6-10(14)15/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyQZIGSKWLYYJCRY-UHFFFAOYSA-N
MW252.23 g/mol
LogP1.06
Rot. Bonds4

About 2-[methyl-(5-methyl-2-nitrobenzoyl)amino]acetic acid

2-[methyl-(5-methyl-2-nitrobenzoyl)amino]acetic acid (PubChem CID 65461207) has the molecular formula C11H12N2O5 and a molecular weight of 252.23 g/mol. Its IUPAC name is 2-[methyl-(5-methyl-2-nitrobenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(5-methyl-2-nitrobenzoyl)amino]acetic acid
PubChem CID65461207
Molecular FormulaC11H12N2O5
Molecular Weight252.23 g/mol
Exact Mass252.07
IUPAC Name2-[methyl-(5-methyl-2-nitrobenzoyl)amino]acetic acid
SMILESCc1ccc([N+](=O)[O-])c(C(=O)N(C)CC(=O)O)c1
InChIInChI=1S/C11H12N2O5/c1-7-3-4-9(13(17)18)8(5-7)11(16)12(2)6-10(14)15/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyQZIGSKWLYYJCRY-UHFFFAOYSA-N
XLogP1.06
TPSA100.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 51.06
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-[cyclopropyl-(5-methyl-2-nitrobenzoyl)amino]acetic acid
CID 65462619
N-(3-chloropropyl)-N,5-dimethyl-2-nitrobenzamide
CID 114230809
2-[(2,5-dimethylbenzoyl)-methylamino]acetic acid
CID 18071913
2-[(4,5-dimethoxy-2-nitrobenzoyl)-methylamino]acetic acid
CID 43234989
N-(2-hydroxy-3-methoxypropyl)-N,5-dimethyl-2-nitrobenzamide
CID 65462637
2-[ethyl-(5-methyl-2-nitrobenzoyl)amino]-2-methylpropanoic acid
CID 65461617
N-(azetidin-3-yl)-N-ethyl-5-methyl-2-nitrobenzamide
CID 66182534
N-(1-cyanoethyl)-N,5-dimethyl-2-nitrobenzamide
CID 65462825
2-[(3-methoxy-4-nitrobenzoyl)-methylamino]acetic acid
CID 115729869
3-[ethyl-(5-methyl-2-nitrobenzoyl)amino]-2-methylpropanoic acid
CID 65461817
2-[(4-bromo-3-nitrobenzoyl)-methylamino]acetic acid
CID 43239793
2-[(4-ethoxy-5-methoxy-2-nitrobenzoyl)-methylamino]acetic acid
CID 119172192

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(5-methyl-2-nitrobenzoyl)amino]acetic acid?
The IUPAC name of 2-[methyl-(5-methyl-2-nitrobenzoyl)amino]acetic acid (CID 65461207) is 2-[methyl-(5-methyl-2-nitrobenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(5-methyl-2-nitrobenzoyl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(5-methyl-2-nitrobenzoyl)amino]acetic acid is Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CC(=O)O)c1.
What is the InChIKey of 2-[methyl-(5-methyl-2-nitrobenzoyl)amino]acetic acid?
The InChIKey is QZIGSKWLYYJCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5/c1-7-3-4-9(13(17)18)8(5-7)11(16)12(2)6-10(14)15/h3-5H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-[methyl-(5-methyl-2-nitrobenzoyl)amino]acetic acid?
2-[methyl-(5-methyl-2-nitrobenzoyl)amino]acetic acid has a molecular weight of 252.23 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(5-methyl-2-nitrobenzoyl)amino]acetic acid is sourced from PubChem (CID 65461207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).