3-[(2-cyclopent-2-en-1-ylacetyl)-ethylamino]propanoic acid

C12H19NO3 — CID 61007987

IUPAC3-[(2-cyclopent-2-en-1-ylacetyl)-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)CC1C=CCC1
InChIInChI=1S/C12H19NO3/c1-2-13(8-7-12(15)16)11(14)9-10-5-3-4-6-10/h3,5,10H,2,4,6-9H2,1H3,(H,15,16)
InChIKeyNDSNSZYOGBCCIH-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.67
Rot. Bonds6

About 3-[(2-cyclopent-2-en-1-ylacetyl)-ethylamino]propanoic acid

3-[(2-cyclopent-2-en-1-ylacetyl)-ethylamino]propanoic acid (PubChem CID 61007987) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-[(2-cyclopent-2-en-1-ylacetyl)-ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-cyclopent-2-en-1-ylacetyl)-ethylamino]propanoic acid
PubChem CID61007987
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name3-[(2-cyclopent-2-en-1-ylacetyl)-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)CC1C=CCC1
InChIInChI=1S/C12H19NO3/c1-2-13(8-7-12(15)16)11(14)9-10-5-3-4-6-10/h3,5,10H,2,4,6-9H2,1H3,(H,15,16)
InChIKeyNDSNSZYOGBCCIH-UHFFFAOYSA-N
XLogP1.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(cyclopropylamino)propanoyl-ethylamino]propanoic acid
CID 62328828
2-cyclopent-2-en-1-yl-N-ethyl-N-piperidin-4-ylacetamide
CID 54923345
methyl 4-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]butanoate
CID 54943043
methyl 2-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]acetate
CID 43407690
2-cyclopent-2-en-1-yl-N-cyclopropyl-N-(2-methylpropyl)acetamide
CID 78850541
2-cyclopent-2-en-1-yl-N-(2-hydroxy-2-propylpentyl)acetamide
CID 111444858
3-[cyclopropyl(diethylcarbamoyl)amino]propanoic acid
CID 61186595
methyl 3-[(1S)-cyclopent-2-en-1-yl]propanoate
CID 125474628
2-cyclopent-2-en-1-yl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 103604609
3-[ethoxycarbonyl(ethyl)amino]propanoic acid
CID 22758760
3-[[cyclopentyl(methyl)carbamoyl]-ethylamino]propanoic acid
CID 61194349
3-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]propanoic acid
CID 61007980

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopent-2-en-1-ylacetyl)-ethylamino]propanoic acid?
The IUPAC name of 3-[(2-cyclopent-2-en-1-ylacetyl)-ethylamino]propanoic acid (CID 61007987) is 3-[(2-cyclopent-2-en-1-ylacetyl)-ethylamino]propanoic acid.
What is the SMILES notation for 3-[(2-cyclopent-2-en-1-ylacetyl)-ethylamino]propanoic acid?
The canonical SMILES for 3-[(2-cyclopent-2-en-1-ylacetyl)-ethylamino]propanoic acid is CCN(CCC(=O)O)C(=O)CC1C=CCC1.
What is the InChIKey of 3-[(2-cyclopent-2-en-1-ylacetyl)-ethylamino]propanoic acid?
The InChIKey is NDSNSZYOGBCCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-2-13(8-7-12(15)16)11(14)9-10-5-3-4-6-10/h3,5,10H,2,4,6-9H2,1H3,(H,15,16).
What are the key properties of 3-[(2-cyclopent-2-en-1-ylacetyl)-ethylamino]propanoic acid?
3-[(2-cyclopent-2-en-1-ylacetyl)-ethylamino]propanoic acid has a molecular weight of 225.29 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopent-2-en-1-ylacetyl)-ethylamino]propanoic acid is sourced from PubChem (CID 61007987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).