5-[(2-methylcyclopropanecarbonyl)amino]benzene-1,3-dicarboxylic acid

C13H13NO5 — CID 60657199

IUPAC5-[(2-methylcyclopropanecarbonyl)amino]benzene-1,3-dicarboxylic acid
SMILESCC1CC1C(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1
InChIInChI=1S/C13H13NO5/c1-6-2-10(6)11(15)14-9-4-7(12(16)17)3-8(5-9)13(18)19/h3-6,10H,2H2,1H3,(H,14,15)(H,16,17)(H,18,19)
InChIKeyAPICXIOYIKPHKX-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.68
Rot. Bonds4

About 5-[(2-methylcyclopropanecarbonyl)amino]benzene-1,3-dicarboxylic acid

5-[(2-methylcyclopropanecarbonyl)amino]benzene-1,3-dicarboxylic acid (PubChem CID 60657199) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is 5-[(2-methylcyclopropanecarbonyl)amino]benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-[(2-methylcyclopropanecarbonyl)amino]benzene-1,3-dicarboxylic acid
PubChem CID60657199
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Name5-[(2-methylcyclopropanecarbonyl)amino]benzene-1,3-dicarboxylic acid
SMILESCC1CC1C(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1
InChIInChI=1S/C13H13NO5/c1-6-2-10(6)11(15)14-9-4-7(12(16)17)3-8(5-9)13(18)19/h3-6,10H,2H2,1H3,(H,14,15)(H,16,17)(H,18,19)
InChIKeyAPICXIOYIKPHKX-UHFFFAOYSA-N
XLogP1.68
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
4-chloro-3-[(2-methylcyclopropanecarbonyl)amino]benzoic acid
CID 24688502
dimethyl 5-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzene-1,3-dicarboxylate
CID 55667093
5-(carboxyamino)benzene-1,3-dicarboxylic acid
CID 18974712
2-methyl-4-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzoic acid
CID 119240303
2-methyl-N-pyridin-4-ylcyclopropane-1-carboxamide
CID 45352995
trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 2553201
methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 7741315
2-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid
CID 119136391
2-methyl-2-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid
CID 119199006
2-methyl-N-[3-(4-phenylpiperazine-1-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 55647883
trans-(1S,2S)-2-[[3,5-bis(methoxycarbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 991046

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylcyclopropanecarbonyl)amino]benzene-1,3-dicarboxylic acid?
The IUPAC name of 5-[(2-methylcyclopropanecarbonyl)amino]benzene-1,3-dicarboxylic acid (CID 60657199) is 5-[(2-methylcyclopropanecarbonyl)amino]benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-[(2-methylcyclopropanecarbonyl)amino]benzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-[(2-methylcyclopropanecarbonyl)amino]benzene-1,3-dicarboxylic acid is CC1CC1C(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1.
What is the InChIKey of 5-[(2-methylcyclopropanecarbonyl)amino]benzene-1,3-dicarboxylic acid?
The InChIKey is APICXIOYIKPHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5/c1-6-2-10(6)11(15)14-9-4-7(12(16)17)3-8(5-9)13(18)19/h3-6,10H,2H2,1H3,(H,14,15)(H,16,17)(H,18,19).
What are the key properties of 5-[(2-methylcyclopropanecarbonyl)amino]benzene-1,3-dicarboxylic acid?
5-[(2-methylcyclopropanecarbonyl)amino]benzene-1,3-dicarboxylic acid has a molecular weight of 263.25 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylcyclopropanecarbonyl)amino]benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 60657199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).