2-[1-[[2-(4-aminophenyl)acetyl]amino]cyclopentyl]acetic acid

C15H20N2O3 — CID 64700742

IUPAC2-[1-[[2-(4-aminophenyl)acetyl]amino]cyclopentyl]acetic acid
SMILESNc1ccc(CC(=O)NC2(CC(=O)O)CCCC2)cc1
InChIInChI=1S/C15H20N2O3/c16-12-5-3-11(4-6-12)9-13(18)17-15(10-14(19)20)7-1-2-8-15/h3-6H,1-2,7-10,16H2,(H,17,18)(H,19,20)
InChIKeyFTNMVWKLRCWKOJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.72
Rot. Bonds5

About 2-[1-[[2-(4-aminophenyl)acetyl]amino]cyclopentyl]acetic acid

2-[1-[[2-(4-aminophenyl)acetyl]amino]cyclopentyl]acetic acid (PubChem CID 64700742) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[1-[[2-(4-aminophenyl)acetyl]amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(4-aminophenyl)acetyl]amino]cyclopentyl]acetic acid
PubChem CID64700742
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[1-[[2-(4-aminophenyl)acetyl]amino]cyclopentyl]acetic acid
SMILESNc1ccc(CC(=O)NC2(CC(=O)O)CCCC2)cc1
InChIInChI=1S/C15H20N2O3/c16-12-5-3-11(4-6-12)9-13(18)17-15(10-14(19)20)7-1-2-8-15/h3-6H,1-2,7-10,16H2,(H,17,18)(H,19,20)
InChIKeyFTNMVWKLRCWKOJ-UHFFFAOYSA-N
XLogP1.72
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(4-aminophenyl)acetyl]amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[[2-(4-aminophenyl)acetyl]amino]cyclopentyl]acetic acid (CID 64700742) is 2-[1-[[2-(4-aminophenyl)acetyl]amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(4-aminophenyl)acetyl]amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(4-aminophenyl)acetyl]amino]cyclopentyl]acetic acid is Nc1ccc(CC(=O)NC2(CC(=O)O)CCCC2)cc1.
What is the InChIKey of 2-[1-[[2-(4-aminophenyl)acetyl]amino]cyclopentyl]acetic acid?
The InChIKey is FTNMVWKLRCWKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-12-5-3-11(4-6-12)9-13(18)17-15(10-14(19)20)7-1-2-8-15/h3-6H,1-2,7-10,16H2,(H,17,18)(H,19,20).
What are the key properties of 2-[1-[[2-(4-aminophenyl)acetyl]amino]cyclopentyl]acetic acid?
2-[1-[[2-(4-aminophenyl)acetyl]amino]cyclopentyl]acetic acid has a molecular weight of 276.34 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(4-aminophenyl)acetyl]amino]cyclopentyl]acetic acid is sourced from PubChem (CID 64700742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).