2-acetamido-4-methoxycarbonylbenzoic acid

C11H11NO5 — CID 131862461

IUPAC2-acetamido-4-methoxycarbonylbenzoic acid
SMILESCOC(=O)c1ccc(C(=O)O)c(NC(C)=O)c1
InChIInChI=1S/C11H11NO5/c1-6(13)12-9-5-7(11(16)17-2)3-4-8(9)10(14)15/h3-5H,1-2H3,(H,12,13)(H,14,15)
InChIKeyBFBOLGNXHFCTBN-UHFFFAOYSA-N
MW237.21 g/mol
LogP1.13
Rot. Bonds3

About 2-acetamido-4-methoxycarbonylbenzoic acid

2-acetamido-4-methoxycarbonylbenzoic acid (PubChem CID 131862461) has the molecular formula C11H11NO5 and a molecular weight of 237.21 g/mol. Its IUPAC name is 2-acetamido-4-methoxycarbonylbenzoic acid.

Molecular Properties

Compound Name2-acetamido-4-methoxycarbonylbenzoic acid
PubChem CID131862461
Molecular FormulaC11H11NO5
Molecular Weight237.21 g/mol
Exact Mass237.06
IUPAC Name2-acetamido-4-methoxycarbonylbenzoic acid
SMILESCOC(=O)c1ccc(C(=O)O)c(NC(C)=O)c1
InChIInChI=1S/C11H11NO5/c1-6(13)12-9-5-7(11(16)17-2)3-4-8(9)10(14)15/h3-5H,1-2H3,(H,12,13)(H,14,15)
InChIKeyBFBOLGNXHFCTBN-UHFFFAOYSA-N
XLogP1.13
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl 4-acetamidobenzene-1,3-dicarboxylate
CID 2802943
2-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]benzoic acid
CID 7209741
ethane;4-methoxycarbonylphthalic acid
CID 143938031
methyl 2-acetamido-4-(hydrazinecarbonyl)benzoate
CID 67050072
methyl 3-acetamido-4-propan-2-ylbenzoate
CID 100666592
3-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 39315015
dimethyl 4-acetylbenzene-1,3-dicarboxylate
CID 69333095
methyl 2-acetamido-4-chlorobenzoate
CID 2800203
dimethyl 2-(3-oxobutylcarbamoylamino)benzene-1,4-dicarboxylate
CID 108895118
dimethyl 2-[(2-oxo-2-pyrrolidin-1-ylacetyl)amino]benzene-1,4-dicarboxylate
CID 108521058
dimethyl 2-[(3,4-dimethylbenzoyl)amino]benzene-1,4-dicarboxylate
CID 4228000
3,4-diacetamidobenzoic acid
CID 2735923

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-4-methoxycarbonylbenzoic acid?
The IUPAC name of 2-acetamido-4-methoxycarbonylbenzoic acid (CID 131862461) is 2-acetamido-4-methoxycarbonylbenzoic acid.
What is the SMILES notation for 2-acetamido-4-methoxycarbonylbenzoic acid?
The canonical SMILES for 2-acetamido-4-methoxycarbonylbenzoic acid is COC(=O)c1ccc(C(=O)O)c(NC(C)=O)c1.
What is the InChIKey of 2-acetamido-4-methoxycarbonylbenzoic acid?
The InChIKey is BFBOLGNXHFCTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO5/c1-6(13)12-9-5-7(11(16)17-2)3-4-8(9)10(14)15/h3-5H,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-acetamido-4-methoxycarbonylbenzoic acid?
2-acetamido-4-methoxycarbonylbenzoic acid has a molecular weight of 237.21 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-4-methoxycarbonylbenzoic acid is sourced from PubChem (CID 131862461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).