4-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]butanoic acid

C12H19NO3 — CID 43151828

IUPAC4-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)CC1C=CCC1
InChIInChI=1S/C12H19NO3/c1-13(8-4-7-12(15)16)11(14)9-10-5-2-3-6-10/h2,5,10H,3-4,6-9H2,1H3,(H,15,16)
InChIKeyNLNRYCKFOSVLAB-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.67
Rot. Bonds6

About 4-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]butanoic acid

4-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]butanoic acid (PubChem CID 43151828) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]butanoic acid
PubChem CID43151828
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name4-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)CC1C=CCC1
InChIInChI=1S/C12H19NO3/c1-13(8-4-7-12(15)16)11(14)9-10-5-2-3-6-10/h2,5,10H,3-4,6-9H2,1H3,(H,15,16)
InChIKeyNLNRYCKFOSVLAB-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

6-(Pyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 645904
6-[(Dibutylamino)carbonyl]-3-cyclohexene-1-carboxylic acid
CID 2884884
6-(Diethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 21948
4-(5-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)butanoic acid
CID 2988517
6-(Azepan-1-ylcarbonyl)cyclohex-3-ene-1-carboxylic acid
CID 4427865
(1S,6R)-6-(2,5-dihydropyrrole-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 44207112
6-[Ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 55011704
2-[2-(Diethylamino)-2-oxoethyl]tetradec-4-enoic acid
CID 57354028
6-[Propyl(2,2,2-trifluoroethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 60949293
6-[2-Methylpropyl(2,2,2-trifluoroethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 60949702
6-[Butyl(2,2,2-trifluoroethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 60949932
6-[Methyl(3,3,3-trifluoropropyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 65533256

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]butanoic acid?
The IUPAC name of 4-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]butanoic acid (CID 43151828) is 4-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]butanoic acid.
What is the SMILES notation for 4-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]butanoic acid?
The canonical SMILES for 4-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]butanoic acid is CN(CCCC(=O)O)C(=O)CC1C=CCC1.
What is the InChIKey of 4-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]butanoic acid?
The InChIKey is NLNRYCKFOSVLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-13(8-4-7-12(15)16)11(14)9-10-5-2-3-6-10/h2,5,10H,3-4,6-9H2,1H3,(H,15,16).
What are the key properties of 4-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]butanoic acid?
4-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]butanoic 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 4-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]butanoic acid is sourced from PubChem (CID 43151828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).