2-[2-[[2-(1-aminocyclopentyl)acetyl]amino]ethyl]benzoic acid

C16H22N2O3 — CID 64676697

IUPAC2-[2-[[2-(1-aminocyclopentyl)acetyl]amino]ethyl]benzoic acid
SMILESNC1(CC(=O)NCCc2ccccc2C(=O)O)CCCC1
InChIInChI=1S/C16H22N2O3/c17-16(8-3-4-9-16)11-14(19)18-10-7-12-5-1-2-6-13(12)15(20)21/h1-2,5-6H,3-4,7-11,17H2,(H,18,19)(H,20,21)
InChIKeyFNQYVDOSUZECRM-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.71
Rot. Bonds6

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

2-[2-[[2-(1-aminocyclopentyl)acetyl]amino]ethyl]benzoic acid (PubChem CID 64676697) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[2-[[2-(1-aminocyclopentyl)acetyl]amino]ethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[[2-(1-aminocyclopentyl)acetyl]amino]ethyl]benzoic acid
PubChem CID64676697
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[2-[[2-(1-aminocyclopentyl)acetyl]amino]ethyl]benzoic acid
SMILESNC1(CC(=O)NCCc2ccccc2C(=O)O)CCCC1
InChIInChI=1S/C16H22N2O3/c17-16(8-3-4-9-16)11-14(19)18-10-7-12-5-1-2-6-13(12)15(20)21/h1-2,5-6H,3-4,7-11,17H2,(H,18,19)(H,20,21)
InChIKeyFNQYVDOSUZECRM-UHFFFAOYSA-N
XLogP1.71
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[[2-(1-aminocyclopentyl)acetyl]amino]ethyl]benzoic acid
CID 64677981
2-[2-[(4-aminooxane-4-carbonyl)amino]ethyl]benzoic acid
CID 115294978
2-[2-[[(2R)-2-aminopropanoyl]amino]ethyl]benzoic acid
CID 78966496
1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43529529
2-(1-aminocyclohexyl)-N-[2-(3-methylphenyl)ethyl]acetamide
CID 64679676
2-[2-[(2-amino-1-methylcyclopentanecarbonyl)amino]ethyl]benzoic acid
CID 82759376
3-[[[2-(1-aminocyclopentyl)acetyl]amino]methyl]benzoic acid
CID 64678387
2-[2-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]benzoic acid
CID 107000422
3-[[2-(1-aminocyclopentyl)acetyl]amino]-2-phenylpropanoic acid
CID 64679346
2-[2-[3-(aminomethyl)pentanoylamino]ethyl]benzoic acid
CID 81080534
3-[[2-(1-aminocyclohexyl)acetyl]amino]-2-methylbenzoic acid
CID 64683801
2-[2-(cyclopentylamino)ethyl]benzoic acid
CID 82934034

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(1-aminocyclopentyl)acetyl]amino]ethyl]benzoic acid?
The IUPAC name of 2-[2-[[2-(1-aminocyclopentyl)acetyl]amino]ethyl]benzoic acid (CID 64676697) is 2-[2-[[2-(1-aminocyclopentyl)acetyl]amino]ethyl]benzoic acid.
What is the SMILES notation for 2-[2-[[2-(1-aminocyclopentyl)acetyl]amino]ethyl]benzoic acid?
The canonical SMILES for 2-[2-[[2-(1-aminocyclopentyl)acetyl]amino]ethyl]benzoic acid is NC1(CC(=O)NCCc2ccccc2C(=O)O)CCCC1.
What is the InChIKey of 2-[2-[[2-(1-aminocyclopentyl)acetyl]amino]ethyl]benzoic acid?
The InChIKey is FNQYVDOSUZECRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c17-16(8-3-4-9-16)11-14(19)18-10-7-12-5-1-2-6-13(12)15(20)21/h1-2,5-6H,3-4,7-11,17H2,(H,18,19)(H,20,21).
What are the key properties of 2-[2-[[2-(1-aminocyclopentyl)acetyl]amino]ethyl]benzoic acid?
2-[2-[[2-(1-aminocyclopentyl)acetyl]amino]ethyl]benzoic acid has a molecular weight of 290.36 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(1-aminocyclopentyl)acetyl]amino]ethyl]benzoic acid is sourced from PubChem (CID 64676697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).