1-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid

C17H21NO3 — CID 72909130

IUPAC1-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(CC1CCc2ccccc21)NC1(C(=O)O)CCCC1
InChIInChI=1S/C17H21NO3/c19-15(18-17(16(20)21)9-3-4-10-17)11-13-8-7-12-5-1-2-6-14(12)13/h1-2,5-6,13H,3-4,7-11H2,(H,18,19)(H,20,21)
InChIKeyLGSRVGYLAQKTPU-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.62
Rot. Bonds4

About 1-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid

1-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 72909130) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID72909130
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name1-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(CC1CCc2ccccc21)NC1(C(=O)O)CCCC1
InChIInChI=1S/C17H21NO3/c19-15(18-17(16(20)21)9-3-4-10-17)11-13-8-7-12-5-1-2-6-14(12)13/h1-2,5-6,13H,3-4,7-11H2,(H,18,19)(H,20,21)
InChIKeyLGSRVGYLAQKTPU-UHFFFAOYSA-N
XLogP2.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 72909130) is 1-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid is O=C(CC1CCc2ccccc21)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is LGSRVGYLAQKTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c19-15(18-17(16(20)21)9-3-4-10-17)11-13-8-7-12-5-1-2-6-14(12)13/h1-2,5-6,13H,3-4,7-11H2,(H,18,19)(H,20,21).
What are the key properties of 1-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
1-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 72909130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).