5-[(4-aminopiperidine-1-carbonyl)amino]-2,3-dimethylbenzoic acid

C15H21N3O3 — CID 63022785

IUPAC5-[(4-aminopiperidine-1-carbonyl)amino]-2,3-dimethylbenzoic acid
SMILESCc1cc(NC(=O)N2CCC(N)CC2)cc(C(=O)O)c1C
InChIInChI=1S/C15H21N3O3/c1-9-7-12(8-13(10(9)2)14(19)20)17-15(21)18-5-3-11(16)4-6-18/h7-8,11H,3-6,16H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyOMTFETDQZMDEQM-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.96
Rot. Bonds2

About 5-[(4-aminopiperidine-1-carbonyl)amino]-2,3-dimethylbenzoic acid

5-[(4-aminopiperidine-1-carbonyl)amino]-2,3-dimethylbenzoic acid (PubChem CID 63022785) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-[(4-aminopiperidine-1-carbonyl)amino]-2,3-dimethylbenzoic acid.

Molecular Properties

Compound Name5-[(4-aminopiperidine-1-carbonyl)amino]-2,3-dimethylbenzoic acid
PubChem CID63022785
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name5-[(4-aminopiperidine-1-carbonyl)amino]-2,3-dimethylbenzoic acid
SMILESCc1cc(NC(=O)N2CCC(N)CC2)cc(C(=O)O)c1C
InChIInChI=1S/C15H21N3O3/c1-9-7-12(8-13(10(9)2)14(19)20)17-15(21)18-5-3-11(16)4-6-18/h7-8,11H,3-6,16H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyOMTFETDQZMDEQM-UHFFFAOYSA-N
XLogP1.96
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-5-[(2-methylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 63022107
2,3-dimethyl-5-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid
CID 63020187
(3S)-3-amino-N-(3,5-dichlorophenyl)pyrrolidine-1-carboxamide
CID 107654257
4-amino-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 16773171
2,3-dimethyl-5-(pyrrolidine-3-carbonylamino)benzoic acid
CID 55142915
5-[[2-(cyclopentylamino)acetyl]amino]-2,3-dimethylbenzoic acid
CID 63020173
2-methyl-5-(pyrrolidine-1-carbonylamino)benzoic acid
CID 63654397
2,3-dimethyl-5-(thiane-2-carbonylamino)benzoic acid
CID 80594176
5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,3-dimethylbenzoic acid
CID 107175434
(3R)-3-amino-N-phenylpyrrolidine-1-carboxamide
CID 94340040
2,3-dimethyl-5-(oxan-3-ylcarbamoylamino)benzoic acid
CID 63361645
2-methyl-5-(piperidine-1-carbonylamino)benzoic acid
CID 63653011

Frequently Asked Questions

What is the IUPAC name of 5-[(4-aminopiperidine-1-carbonyl)amino]-2,3-dimethylbenzoic acid?
The IUPAC name of 5-[(4-aminopiperidine-1-carbonyl)amino]-2,3-dimethylbenzoic acid (CID 63022785) is 5-[(4-aminopiperidine-1-carbonyl)amino]-2,3-dimethylbenzoic acid.
What is the SMILES notation for 5-[(4-aminopiperidine-1-carbonyl)amino]-2,3-dimethylbenzoic acid?
The canonical SMILES for 5-[(4-aminopiperidine-1-carbonyl)amino]-2,3-dimethylbenzoic acid is Cc1cc(NC(=O)N2CCC(N)CC2)cc(C(=O)O)c1C.
What is the InChIKey of 5-[(4-aminopiperidine-1-carbonyl)amino]-2,3-dimethylbenzoic acid?
The InChIKey is OMTFETDQZMDEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-9-7-12(8-13(10(9)2)14(19)20)17-15(21)18-5-3-11(16)4-6-18/h7-8,11H,3-6,16H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 5-[(4-aminopiperidine-1-carbonyl)amino]-2,3-dimethylbenzoic acid?
5-[(4-aminopiperidine-1-carbonyl)amino]-2,3-dimethylbenzoic acid has a molecular weight of 291.35 g/mol, XLogP of 1.96, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-aminopiperidine-1-carbonyl)amino]-2,3-dimethylbenzoic acid is sourced from PubChem (CID 63022785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).