4-[2-[[2-(1-aminocyclopentyl)acetyl]amino]ethyl]benzoic acid

C16H22N2O3 — CID 64677981

IUPAC4-[2-[[2-(1-aminocyclopentyl)acetyl]amino]ethyl]benzoic acid
SMILESNC1(CC(=O)NCCc2ccc(C(=O)O)cc2)CCCC1
InChIInChI=1S/C16H22N2O3/c17-16(8-1-2-9-16)11-14(19)18-10-7-12-3-5-13(6-4-12)15(20)21/h3-6H,1-2,7-11,17H2,(H,18,19)(H,20,21)
InChIKeyQDJCZXMIBMMNET-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.71
Rot. Bonds6

About 4-[2-[[2-(1-aminocyclopentyl)acetyl]amino]ethyl]benzoic acid

4-[2-[[2-(1-aminocyclopentyl)acetyl]amino]ethyl]benzoic acid (PubChem CID 64677981) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-[2-[[2-(1-aminocyclopentyl)acetyl]amino]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[[2-(1-aminocyclopentyl)acetyl]amino]ethyl]benzoic acid
PubChem CID64677981
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-[2-[[2-(1-aminocyclopentyl)acetyl]amino]ethyl]benzoic acid
SMILESNC1(CC(=O)NCCc2ccc(C(=O)O)cc2)CCCC1
InChIInChI=1S/C16H22N2O3/c17-16(8-1-2-9-16)11-14(19)18-10-7-12-3-5-13(6-4-12)15(20)21/h3-6H,1-2,7-11,17H2,(H,18,19)(H,20,21)
InChIKeyQDJCZXMIBMMNET-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

2-[2-[[2-(1-aminocyclopentyl)acetyl]amino]ethyl]benzoic acid
CID 64676697
2-(1-aminocyclohexyl)-N-[2-(3-methylphenyl)ethyl]acetamide
CID 64679676
4-[2-[(4-aminooxane-4-carbonyl)amino]ethyl]benzoic acid
CID 115294524
3-[[[2-(1-aminocyclopentyl)acetyl]amino]methyl]benzoic acid
CID 64678387
4-[2-[(3-amino-3-methylbutanoyl)amino]ethyl]benzoic acid
CID 64677982
4-[2-(3-cyclobutylpropanoylamino)ethyl]benzoic acid
CID 120512953
4-[2-(butanoylamino)ethyl]benzoic acid
CID 43665716
2-(1-aminocyclobutyl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 103808810
4-[2-[[2-(tert-butylamino)acetyl]amino]ethyl]benzoic acid
CID 79256871
4-[3-[(1-carbamoylcyclopentyl)methylamino]-3-oxopropyl]benzoic acid
CID 119185599
2-(1-aminocyclobutyl)-N-(2-aminoethyl)acetamide
CID 79853853
4-[2-[(4,4-difluoropiperidine-1-carbonyl)amino]ethyl]benzoic acid
CID 166240238

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-(1-aminocyclopentyl)acetyl]amino]ethyl]benzoic acid?
The IUPAC name of 4-[2-[[2-(1-aminocyclopentyl)acetyl]amino]ethyl]benzoic acid (CID 64677981) is 4-[2-[[2-(1-aminocyclopentyl)acetyl]amino]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-[[2-(1-aminocyclopentyl)acetyl]amino]ethyl]benzoic acid?
The canonical SMILES for 4-[2-[[2-(1-aminocyclopentyl)acetyl]amino]ethyl]benzoic acid is NC1(CC(=O)NCCc2ccc(C(=O)O)cc2)CCCC1.
What is the InChIKey of 4-[2-[[2-(1-aminocyclopentyl)acetyl]amino]ethyl]benzoic acid?
The InChIKey is QDJCZXMIBMMNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c17-16(8-1-2-9-16)11-14(19)18-10-7-12-3-5-13(6-4-12)15(20)21/h3-6H,1-2,7-11,17H2,(H,18,19)(H,20,21).
What are the key properties of 4-[2-[[2-(1-aminocyclopentyl)acetyl]amino]ethyl]benzoic acid?
4-[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 4-[2-[[2-(1-aminocyclopentyl)acetyl]amino]ethyl]benzoic acid is sourced from PubChem (CID 64677981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).