2-[2-[(2-amino-1-methylcyclopentanecarbonyl)amino]ethyl]benzoic acid

C16H22N2O3 — CID 82759376

IUPAC2-[2-[(2-amino-1-methylcyclopentanecarbonyl)amino]ethyl]benzoic acid
SMILESCC1(C(=O)NCCc2ccccc2C(=O)O)CCCC1N
InChIInChI=1S/C16H22N2O3/c1-16(9-4-7-13(16)17)15(21)18-10-8-11-5-2-3-6-12(11)14(19)20/h2-3,5-6,13H,4,7-10,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyCRFNBTAKXQXXDI-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.56
Rot. Bonds5

About 2-[2-[(2-amino-1-methylcyclopentanecarbonyl)amino]ethyl]benzoic acid

2-[2-[(2-amino-1-methylcyclopentanecarbonyl)amino]ethyl]benzoic acid (PubChem CID 82759376) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[2-[(2-amino-1-methylcyclopentanecarbonyl)amino]ethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[(2-amino-1-methylcyclopentanecarbonyl)amino]ethyl]benzoic acid
PubChem CID82759376
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[2-[(2-amino-1-methylcyclopentanecarbonyl)amino]ethyl]benzoic acid
SMILESCC1(C(=O)NCCc2ccccc2C(=O)O)CCCC1N
InChIInChI=1S/C16H22N2O3/c1-16(9-4-7-13(16)17)15(21)18-10-8-11-5-2-3-6-12(11)14(19)20/h2-3,5-6,13H,4,7-10,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyCRFNBTAKXQXXDI-UHFFFAOYSA-N
XLogP1.56
TPSA92.42 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 ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]benzoic acid
CID 107000422
2-[2-[(4-aminooxane-4-carbonyl)amino]ethyl]benzoic acid
CID 115294978
2-amino-N-(2-ethylphenyl)-1-methylcyclopentane-1-carboxamide
CID 82765748
2-amino-1-methyl-N-(2-propylphenyl)cyclopentane-1-carboxamide
CID 82764407
2-amino-1-methyl-N-(4-phenylbutan-2-yl)cyclopentane-1-carboxamide
CID 82767340
2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-fluorobenzoic acid
CID 82767830
2-amino-1-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide
CID 82763901
2-[2-[[2-(1-aminocyclopentyl)acetyl]amino]ethyl]benzoic acid
CID 64676697
2-amino-N-(4-aminobutyl)-1-methylcyclopentane-1-carboxamide
CID 82767781
2-amino-N-[(4-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 114332102
2-[2-[[(2R)-2-aminopropanoyl]amino]ethyl]benzoic acid
CID 78966496
2-amino-N-[(4-bromophenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 82763604

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-amino-1-methylcyclopentanecarbonyl)amino]ethyl]benzoic acid?
The IUPAC name of 2-[2-[(2-amino-1-methylcyclopentanecarbonyl)amino]ethyl]benzoic acid (CID 82759376) is 2-[2-[(2-amino-1-methylcyclopentanecarbonyl)amino]ethyl]benzoic acid.
What is the SMILES notation for 2-[2-[(2-amino-1-methylcyclopentanecarbonyl)amino]ethyl]benzoic acid?
The canonical SMILES for 2-[2-[(2-amino-1-methylcyclopentanecarbonyl)amino]ethyl]benzoic acid is CC1(C(=O)NCCc2ccccc2C(=O)O)CCCC1N.
What is the InChIKey of 2-[2-[(2-amino-1-methylcyclopentanecarbonyl)amino]ethyl]benzoic acid?
The InChIKey is CRFNBTAKXQXXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(9-4-7-13(16)17)15(21)18-10-8-11-5-2-3-6-12(11)14(19)20/h2-3,5-6,13H,4,7-10,17H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-[2-[(2-amino-1-methylcyclopentanecarbonyl)amino]ethyl]benzoic acid?
2-[2-[(2-amino-1-methylcyclopentanecarbonyl)amino]ethyl]benzoic acid has a molecular weight of 290.36 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-amino-1-methylcyclopentanecarbonyl)amino]ethyl]benzoic acid is sourced from PubChem (CID 82759376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).