2,3-dimethyl-5-(pyrrolidine-3-carbonylamino)benzoic acid

C14H18N2O3 — CID 55142915

IUPAC2,3-dimethyl-5-(pyrrolidine-3-carbonylamino)benzoic acid
SMILESCc1cc(NC(=O)C2CCNC2)cc(C(=O)O)c1C
InChIInChI=1S/C14H18N2O3/c1-8-5-11(6-12(9(8)2)14(18)19)16-13(17)10-3-4-15-7-10/h5-6,10,15H,3-4,7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyRUYIDXISIRGQLQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.55
Rot. Bonds3

About 2,3-dimethyl-5-(pyrrolidine-3-carbonylamino)benzoic acid

2,3-dimethyl-5-(pyrrolidine-3-carbonylamino)benzoic acid (PubChem CID 55142915) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2,3-dimethyl-5-(pyrrolidine-3-carbonylamino)benzoic acid.

Molecular Properties

Compound Name2,3-dimethyl-5-(pyrrolidine-3-carbonylamino)benzoic acid
PubChem CID55142915
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2,3-dimethyl-5-(pyrrolidine-3-carbonylamino)benzoic acid
SMILESCc1cc(NC(=O)C2CCNC2)cc(C(=O)O)c1C
InChIInChI=1S/C14H18N2O3/c1-8-5-11(6-12(9(8)2)14(18)19)16-13(17)10-3-4-15-7-10/h5-6,10,15H,3-4,7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyRUYIDXISIRGQLQ-UHFFFAOYSA-N
XLogP1.55
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-(piperidine-3-carbonylamino)benzoic acid
CID 63653513
N-(4-methoxy-3,5-dimethylphenyl)pyrrolidine-3-carboxamide
CID 115159403
2,3-dimethyl-5-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid
CID 63020187
2,3-dimethyl-5-(thiane-2-carbonylamino)benzoic acid
CID 80594176
5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,3-dimethylbenzoic acid
CID 107175434
N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 63005768
N-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine-3-carboxamide
CID 115159376
N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119708015
(3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 94915623
N-(2,3-dimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670575
5-chloro-3-methyl-2-(piperidine-3-carbonylamino)benzoic acid
CID 142738187
N-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006642

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-(pyrrolidine-3-carbonylamino)benzoic acid?
The IUPAC name of 2,3-dimethyl-5-(pyrrolidine-3-carbonylamino)benzoic acid (CID 55142915) is 2,3-dimethyl-5-(pyrrolidine-3-carbonylamino)benzoic acid.
What is the SMILES notation for 2,3-dimethyl-5-(pyrrolidine-3-carbonylamino)benzoic acid?
The canonical SMILES for 2,3-dimethyl-5-(pyrrolidine-3-carbonylamino)benzoic acid is Cc1cc(NC(=O)C2CCNC2)cc(C(=O)O)c1C.
What is the InChIKey of 2,3-dimethyl-5-(pyrrolidine-3-carbonylamino)benzoic acid?
The InChIKey is RUYIDXISIRGQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-8-5-11(6-12(9(8)2)14(18)19)16-13(17)10-3-4-15-7-10/h5-6,10,15H,3-4,7H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2,3-dimethyl-5-(pyrrolidine-3-carbonylamino)benzoic acid?
2,3-dimethyl-5-(pyrrolidine-3-carbonylamino)benzoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-(pyrrolidine-3-carbonylamino)benzoic acid is sourced from PubChem (CID 55142915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).