3-[2-(cyclopenten-1-yl)ethylamino]propanoic acid

C10H17NO2 — CID 106173967

IUPAC3-[2-(cyclopenten-1-yl)ethylamino]propanoic acid
SMILESO=C(O)CCNCCC1=CCCC1
InChIInChI=1S/C10H17NO2/c12-10(13)6-8-11-7-5-9-3-1-2-4-9/h3,11H,1-2,4-8H2,(H,12,13)
InChIKeyXMMDODOYPJFAEQ-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.55
Rot. Bonds6

About 3-[2-(cyclopenten-1-yl)ethylamino]propanoic acid

3-[2-(cyclopenten-1-yl)ethylamino]propanoic acid (PubChem CID 106173967) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-[2-(cyclopenten-1-yl)ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[2-(cyclopenten-1-yl)ethylamino]propanoic acid
PubChem CID106173967
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-[2-(cyclopenten-1-yl)ethylamino]propanoic acid
SMILESO=C(O)CCNCCC1=CCCC1
InChIInChI=1S/C10H17NO2/c12-10(13)6-8-11-7-5-9-3-1-2-4-9/h3,11H,1-2,4-8H2,(H,12,13)
InChIKeyXMMDODOYPJFAEQ-UHFFFAOYSA-N
XLogP1.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(cyclohexen-1-yl)ethylamino]butanoic acid
CID 62324339
2-[2-(cyclopenten-1-yl)ethylamino]-N-methylacetamide
CID 106173871
N-benzyl-3-[2-(cyclohexen-1-yl)ethylamino]propanamide
CID 109014814
7-(cyclopenten-1-yl)heptanoic acid
CID 23035884
4-[2-(cyclopenten-1-yl)ethylamino]-2-methylbut-2-enoic acid
CID 106178062
5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 106177489
5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
CID 2932918
4-[3-[2-(cyclohexen-1-yl)ethylamino]propanoyl]piperazine-1-carbaldehyde
CID 109014811
2-(cyclopenten-1-yl)-N-(cyclopentylmethyl)ethanamine
CID 115908602
N-[2-(cyclopenten-1-yl)ethyl]pentan-1-amine
CID 103096944
3-[2-(cyclopenten-1-yl)ethylcarbamoyl-cyclopropylamino]propanoic acid
CID 106178497
3-bromo-N-[2-(cyclopenten-1-yl)ethyl]propanamide
CID 106173068

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopenten-1-yl)ethylamino]propanoic acid?
The IUPAC name of 3-[2-(cyclopenten-1-yl)ethylamino]propanoic acid (CID 106173967) is 3-[2-(cyclopenten-1-yl)ethylamino]propanoic acid.
What is the SMILES notation for 3-[2-(cyclopenten-1-yl)ethylamino]propanoic acid?
The canonical SMILES for 3-[2-(cyclopenten-1-yl)ethylamino]propanoic acid is O=C(O)CCNCCC1=CCCC1.
What is the InChIKey of 3-[2-(cyclopenten-1-yl)ethylamino]propanoic acid?
The InChIKey is XMMDODOYPJFAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c12-10(13)6-8-11-7-5-9-3-1-2-4-9/h3,11H,1-2,4-8H2,(H,12,13).
What are the key properties of 3-[2-(cyclopenten-1-yl)ethylamino]propanoic acid?
3-[2-(cyclopenten-1-yl)ethylamino]propanoic acid has a molecular weight of 183.25 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopenten-1-yl)ethylamino]propanoic acid is sourced from PubChem (CID 106173967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).