5-[[2-(cyclopentylamino)acetyl]amino]-2,3-dimethylbenzoic acid

C16H22N2O3 — CID 63020173

IUPAC5-[[2-(cyclopentylamino)acetyl]amino]-2,3-dimethylbenzoic acid
SMILESCc1cc(NC(=O)CNC2CCCC2)cc(C(=O)O)c1C
InChIInChI=1S/C16H22N2O3/c1-10-7-13(8-14(11(10)2)16(20)21)18-15(19)9-17-12-5-3-4-6-12/h7-8,12,17H,3-6,9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyONJBBIBRYJQDDQ-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.47
Rot. Bonds5

About 5-[[2-(cyclopentylamino)acetyl]amino]-2,3-dimethylbenzoic acid

5-[[2-(cyclopentylamino)acetyl]amino]-2,3-dimethylbenzoic acid (PubChem CID 63020173) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 5-[[2-(cyclopentylamino)acetyl]amino]-2,3-dimethylbenzoic acid.

Molecular Properties

Compound Name5-[[2-(cyclopentylamino)acetyl]amino]-2,3-dimethylbenzoic acid
PubChem CID63020173
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name5-[[2-(cyclopentylamino)acetyl]amino]-2,3-dimethylbenzoic acid
SMILESCc1cc(NC(=O)CNC2CCCC2)cc(C(=O)O)c1C
InChIInChI=1S/C16H22N2O3/c1-10-7-13(8-14(11(10)2)16(20)21)18-15(19)9-17-12-5-3-4-6-12/h7-8,12,17H,3-6,9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyONJBBIBRYJQDDQ-UHFFFAOYSA-N
XLogP2.47
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[[2-(cyclopentylamino)acetyl]amino]benzoic acid
CID 60851750
2-(cyclopentylamino)-N-(3,5-difluorophenyl)acetamide
CID 60703396
2,3-dimethyl-5-(thiane-2-carbonylamino)benzoic acid
CID 80594176
2,3-dimethyl-5-[(2-methylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 63022107
2,3-dimethyl-5-[3-(methylamino)propanoylamino]benzoic acid
CID 63021225
5-(cyclopropylmethylcarbamoylamino)-2,3-dimethylbenzoic acid
CID 63023487
5-[[2-(1-methoxycyclobutyl)acetyl]amino]-2,3-dimethylbenzoic acid
CID 103555614
2,3-dimethyl-5-(oxan-3-ylcarbamoylamino)benzoic acid
CID 63361645
5-[(3-amino-3-methylbutanoyl)amino]-2,3-dimethylbenzoic acid
CID 64676851
5-(4-aminobutanoylamino)-2,3-dimethylbenzoic acid
CID 63020000
N-(3-bromo-4-methylphenyl)-2-(cyclohexylamino)acetamide
CID 108993617
N-(3-acetamido-4-methylphenyl)-2-(cyclopentylamino)acetamide
CID 60851393

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(cyclopentylamino)acetyl]amino]-2,3-dimethylbenzoic acid?
The IUPAC name of 5-[[2-(cyclopentylamino)acetyl]amino]-2,3-dimethylbenzoic acid (CID 63020173) is 5-[[2-(cyclopentylamino)acetyl]amino]-2,3-dimethylbenzoic acid.
What is the SMILES notation for 5-[[2-(cyclopentylamino)acetyl]amino]-2,3-dimethylbenzoic acid?
The canonical SMILES for 5-[[2-(cyclopentylamino)acetyl]amino]-2,3-dimethylbenzoic acid is Cc1cc(NC(=O)CNC2CCCC2)cc(C(=O)O)c1C.
What is the InChIKey of 5-[[2-(cyclopentylamino)acetyl]amino]-2,3-dimethylbenzoic acid?
The InChIKey is ONJBBIBRYJQDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10-7-13(8-14(11(10)2)16(20)21)18-15(19)9-17-12-5-3-4-6-12/h7-8,12,17H,3-6,9H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 5-[[2-(cyclopentylamino)acetyl]amino]-2,3-dimethylbenzoic acid?
5-[[2-(cyclopentylamino)acetyl]amino]-2,3-dimethylbenzoic acid has a molecular weight of 290.36 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(cyclopentylamino)acetyl]amino]-2,3-dimethylbenzoic acid is sourced from PubChem (CID 63020173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).