1-amino-2-(2-octoxyethyl)cyclopentane-1-carboxylic acid

C16H31NO3 — CID 79571531

IUPAC1-amino-2-(2-octoxyethyl)cyclopentane-1-carboxylic acid
SMILESCCCCCCCCOCCC1CCCC1(N)C(=O)O
InChIInChI=1S/C16H31NO3/c1-2-3-4-5-6-7-12-20-13-10-14-9-8-11-16(14,17)15(18)19/h14H,2-13,17H2,1H3,(H,18,19)
InChIKeyHNXMIIJBEPAGKN-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.34
Rot. Bonds11

About 1-amino-2-(2-octoxyethyl)cyclopentane-1-carboxylic acid

1-amino-2-(2-octoxyethyl)cyclopentane-1-carboxylic acid (PubChem CID 79571531) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-amino-2-(2-octoxyethyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-2-(2-octoxyethyl)cyclopentane-1-carboxylic acid
PubChem CID79571531
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name1-amino-2-(2-octoxyethyl)cyclopentane-1-carboxylic acid
SMILESCCCCCCCCOCCC1CCCC1(N)C(=O)O
InChIInChI=1S/C16H31NO3/c1-2-3-4-5-6-7-12-20-13-10-14-9-8-11-16(14,17)15(18)19/h14H,2-13,17H2,1H3,(H,18,19)
InChIKeyHNXMIIJBEPAGKN-UHFFFAOYSA-N
XLogP3.34
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-amino-2-(2-octoxyethyl)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

Related Compounds

1-amino-2-[2-(2-butoxyethoxy)ethyl]cyclopentane-1-carboxylic acid
CID 79571683
1-amino-2-(2-heptoxyethyl)cyclopentane-1-carboxamide
CID 79571750
1-amino-2-(2-butoxyethyl)cyclopentane-1-carboxamide
CID 79588205
1-amino-2-[2-(2-propoxyethoxy)ethyl]cyclopentane-1-carboxamide
CID 79588401
1-amino-2-propylcyclohexane-1-carboxylic acid
CID 121281708
ethyl 1-amino-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carboxylate
CID 79581836
1-amino-2-[2-(dipropylamino)ethyl]cyclopentane-1-carboxylic acid
CID 79564018
methyl 1-(methylamino)-2-(2-pentoxyethyl)cyclopentane-1-carboxylate
CID 79587746
2-(2-butoxyethyl)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79586499
1-amino-2-(2-methylsulfanylethyl)cyclopentane-1-carboxylic acid
CID 79588183
1-amino-3-pentoxycyclohexane-1-carboxylic acid
CID 79638175
CID 153378305
CID 153378305

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-octoxyethyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-amino-2-(2-octoxyethyl)cyclopentane-1-carboxylic acid (CID 79571531) is 1-amino-2-(2-octoxyethyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-amino-2-(2-octoxyethyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-amino-2-(2-octoxyethyl)cyclopentane-1-carboxylic acid is CCCCCCCCOCCC1CCCC1(N)C(=O)O.
What is the InChIKey of 1-amino-2-(2-octoxyethyl)cyclopentane-1-carboxylic acid?
The InChIKey is HNXMIIJBEPAGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-2-3-4-5-6-7-12-20-13-10-14-9-8-11-16(14,17)15(18)19/h14H,2-13,17H2,1H3,(H,18,19).
What are the key properties of 1-amino-2-(2-octoxyethyl)cyclopentane-1-carboxylic acid?
1-amino-2-(2-octoxyethyl)cyclopentane-1-carboxylic acid has a molecular weight of 285.43 g/mol, XLogP of 3.34, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-octoxyethyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79571531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).