2-(cyclopropanecarbonylamino)-5-(dimethylamino)benzoic acid

C13H16N2O3 — CID 50782758

IUPAC2-(cyclopropanecarbonylamino)-5-(dimethylamino)benzoic acid
SMILESCN(C)c1ccc(NC(=O)C2CC2)c(C(=O)O)c1
InChIInChI=1S/C13H16N2O3/c1-15(2)9-5-6-11(10(7-9)13(17)18)14-12(16)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyKSBUTDROPKGCKQ-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.80
Rot. Bonds4

About 2-(cyclopropanecarbonylamino)-5-(dimethylamino)benzoic acid

2-(cyclopropanecarbonylamino)-5-(dimethylamino)benzoic acid (PubChem CID 50782758) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-5-(dimethylamino)benzoic acid.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-5-(dimethylamino)benzoic acid
PubChem CID50782758
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-(cyclopropanecarbonylamino)-5-(dimethylamino)benzoic acid
SMILESCN(C)c1ccc(NC(=O)C2CC2)c(C(=O)O)c1
InChIInChI=1S/C13H16N2O3/c1-15(2)9-5-6-11(10(7-9)13(17)18)14-12(16)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyKSBUTDROPKGCKQ-UHFFFAOYSA-N
XLogP1.80
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[butyl(methyl)amino]-2-(cyclopropanecarbonylamino)benzoic acid
CID 50782783
5-(dimethylamino)-2-(2,2-dimethylpropanoylamino)benzoic acid
CID 50782899
3-[[4-(dimethylamino)-2-methylphenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103550154
2-[(2-chlorobenzoyl)amino]-5-(dimethylamino)benzoic acid
CID 50781021
2-amino-5-hydroxybenzoic acid;2-(cyclopropanecarbonylamino)-5-hydroxybenzoic acid
CID 159148469
N-[2-acetyl-4-(dimethylamino)phenyl]acetamide
CID 15087824
5-chloro-2-(cyclobutanecarbonylamino)benzoic acid
CID 16775751
5-bromo-2-(cyclopentanecarbonylamino)benzoic acid
CID 45434105
5-(dimethylamino)-2-(pentanoylamino)benzoic acid
CID 50782826
5-methyl-2-(thiane-4-carbonylamino)benzoic acid
CID 120537831
5-amino-2-(cycloheptanecarbonylamino)benzoic acid
CID 63116326
5-bromo-2-(cycloheptanecarbonylamino)benzoic acid
CID 63405295

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-5-(dimethylamino)benzoic acid?
The IUPAC name of 2-(cyclopropanecarbonylamino)-5-(dimethylamino)benzoic acid (CID 50782758) is 2-(cyclopropanecarbonylamino)-5-(dimethylamino)benzoic acid.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-5-(dimethylamino)benzoic acid?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-5-(dimethylamino)benzoic acid is CN(C)c1ccc(NC(=O)C2CC2)c(C(=O)O)c1.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-5-(dimethylamino)benzoic acid?
The InChIKey is KSBUTDROPKGCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-15(2)9-5-6-11(10(7-9)13(17)18)14-12(16)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 2-(cyclopropanecarbonylamino)-5-(dimethylamino)benzoic acid?
2-(cyclopropanecarbonylamino)-5-(dimethylamino)benzoic acid has a molecular weight of 248.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-5-(dimethylamino)benzoic acid is sourced from PubChem (CID 50782758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).