4-[2-(cyclopenten-1-yl)ethylamino]-2-methylbut-2-enoic acid

C12H19NO2 — CID 106178062

IUPAC4-[2-(cyclopenten-1-yl)ethylamino]-2-methylbut-2-enoic acid
SMILESCC(=CCNCCC1=CCCC1)C(=O)O
InChIInChI=1S/C12H19NO2/c1-10(12(14)15)6-8-13-9-7-11-4-2-3-5-11/h4,6,13H,2-3,5,7-9H2,1H3,(H,14,15)
InChIKeyZRSGMZLIAHRBQJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.11
Rot. Bonds6

About 4-[2-(cyclopenten-1-yl)ethylamino]-2-methylbut-2-enoic acid

4-[2-(cyclopenten-1-yl)ethylamino]-2-methylbut-2-enoic acid (PubChem CID 106178062) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-[2-(cyclopenten-1-yl)ethylamino]-2-methylbut-2-enoic acid.

Molecular Properties

Compound Name4-[2-(cyclopenten-1-yl)ethylamino]-2-methylbut-2-enoic acid
PubChem CID106178062
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-[2-(cyclopenten-1-yl)ethylamino]-2-methylbut-2-enoic acid
SMILESCC(=CCNCCC1=CCCC1)C(=O)O
InChIInChI=1S/C12H19NO2/c1-10(12(14)15)6-8-13-9-7-11-4-2-3-5-11/h4,6,13H,2-3,5,7-9H2,1H3,(H,14,15)
InChIKeyZRSGMZLIAHRBQJ-UHFFFAOYSA-N
XLogP2.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.11
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[2-(cyclopenten-1-yl)ethylamino]propanoic acid
CID 106173967
2-[2-(cyclopenten-1-yl)ethylamino]-N-methylacetamide
CID 106173871
4-[2-(cyclohexen-1-yl)ethylamino]butanoic acid
CID 62324339
(2S)-1-[2-(cyclopenten-1-yl)ethylamino]propan-2-ol
CID 106174090
N-[2-(cyclopenten-1-yl)ethyl]prop-2-enamide
CID 107363227
N-[2-[[2-(cyclopenten-1-yl)ethylamino]methyl]phenyl]acetamide
CID 103845316
N-(4-bromophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]acetamide
CID 106174200
2-(cyclopenten-1-yl)-N-(cyclopentylmethyl)ethanamine
CID 115908602
N-[2-(cyclopenten-1-yl)ethyl]pentan-1-amine
CID 103096944
2-[2-(cyclopenten-1-yl)ethylamino]-N-pentan-2-ylacetamide
CID 114153921
4-[[2-(cyclopenten-1-yl)ethylamino]methyl]-N-methylbenzamide
CID 103845360
3-bromo-N-[2-(cyclopenten-1-yl)ethyl]propanamide
CID 106173068

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopenten-1-yl)ethylamino]-2-methylbut-2-enoic acid?
The IUPAC name of 4-[2-(cyclopenten-1-yl)ethylamino]-2-methylbut-2-enoic acid (CID 106178062) is 4-[2-(cyclopenten-1-yl)ethylamino]-2-methylbut-2-enoic acid.
What is the SMILES notation for 4-[2-(cyclopenten-1-yl)ethylamino]-2-methylbut-2-enoic acid?
The canonical SMILES for 4-[2-(cyclopenten-1-yl)ethylamino]-2-methylbut-2-enoic acid is CC(=CCNCCC1=CCCC1)C(=O)O.
What is the InChIKey of 4-[2-(cyclopenten-1-yl)ethylamino]-2-methylbut-2-enoic acid?
The InChIKey is ZRSGMZLIAHRBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10(12(14)15)6-8-13-9-7-11-4-2-3-5-11/h4,6,13H,2-3,5,7-9H2,1H3,(H,14,15).
What are the key properties of 4-[2-(cyclopenten-1-yl)ethylamino]-2-methylbut-2-enoic acid?
4-[2-(cyclopenten-1-yl)ethylamino]-2-methylbut-2-enoic acid has a molecular weight of 209.29 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopenten-1-yl)ethylamino]-2-methylbut-2-enoic acid is sourced from PubChem (CID 106178062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).