3-[2-(cyclohexen-1-yl)ethyl-(cyclopropanecarbonyl)amino]propanoic acid

C15H23NO3 — CID 82323978

IUPAC3-[2-(cyclohexen-1-yl)ethyl-(cyclopropanecarbonyl)amino]propanoic acid
SMILESO=C(O)CCN(CCC1=CCCCC1)C(=O)C1CC1
InChIInChI=1S/C15H23NO3/c17-14(18)9-11-16(15(19)13-6-7-13)10-8-12-4-2-1-3-5-12/h4,13H,1-3,5-11H2,(H,17,18)
InChIKeyLQYQDWUUTFPCFK-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.59
Rot. Bonds7

About 3-[2-(cyclohexen-1-yl)ethyl-(cyclopropanecarbonyl)amino]propanoic acid

3-[2-(cyclohexen-1-yl)ethyl-(cyclopropanecarbonyl)amino]propanoic acid (PubChem CID 82323978) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[2-(cyclohexen-1-yl)ethyl-(cyclopropanecarbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-(cyclohexen-1-yl)ethyl-(cyclopropanecarbonyl)amino]propanoic acid
PubChem CID82323978
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-[2-(cyclohexen-1-yl)ethyl-(cyclopropanecarbonyl)amino]propanoic acid
SMILESO=C(O)CCN(CCC1=CCCCC1)C(=O)C1CC1
InChIInChI=1S/C15H23NO3/c17-14(18)9-11-16(15(19)13-6-7-13)10-8-12-4-2-1-3-5-12/h4,13H,1-3,5-11H2,(H,17,18)
InChIKeyLQYQDWUUTFPCFK-UHFFFAOYSA-N
XLogP2.59
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.59
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-[2-(cyclohexen-1-yl)ethyl-(2-methylpropanoyl)amino]propanoic acid
CID 82323648
3-[2-(cyclohexen-1-yl)ethyl-(2,2,2-trifluoroacetyl)amino]propanoic acid
CID 82325868
3-[2-(cyclohexen-1-yl)ethyl-pentanoylamino]propanoic acid
CID 82323533
4-[2-(cyclohexen-1-yl)ethylamino]butanoic acid
CID 62324339
3-[[2-(cyclohexen-1-yl)acetyl]-cyclopropylamino]propanoic acid
CID 63564407
(6R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-oxo-N-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 125168724
3-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(2,6-dichlorophenyl)propanamide
CID 113116856
N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
CID 113053094
3-[2-(cyclopenten-1-yl)ethylamino]propanoic acid
CID 106173967
3-[2-(cyclopenten-1-yl)ethylcarbamoyl-cyclopropylamino]propanoic acid
CID 106178497
4-(cyclohexen-1-yl)butanamide
CID 165359181
N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide
CID 113053087

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexen-1-yl)ethyl-(cyclopropanecarbonyl)amino]propanoic acid?
The IUPAC name of 3-[2-(cyclohexen-1-yl)ethyl-(cyclopropanecarbonyl)amino]propanoic acid (CID 82323978) is 3-[2-(cyclohexen-1-yl)ethyl-(cyclopropanecarbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-(cyclohexen-1-yl)ethyl-(cyclopropanecarbonyl)amino]propanoic acid?
The canonical SMILES for 3-[2-(cyclohexen-1-yl)ethyl-(cyclopropanecarbonyl)amino]propanoic acid is O=C(O)CCN(CCC1=CCCCC1)C(=O)C1CC1.
What is the InChIKey of 3-[2-(cyclohexen-1-yl)ethyl-(cyclopropanecarbonyl)amino]propanoic acid?
The InChIKey is LQYQDWUUTFPCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c17-14(18)9-11-16(15(19)13-6-7-13)10-8-12-4-2-1-3-5-12/h4,13H,1-3,5-11H2,(H,17,18).
What are the key properties of 3-[2-(cyclohexen-1-yl)ethyl-(cyclopropanecarbonyl)amino]propanoic acid?
3-[2-(cyclohexen-1-yl)ethyl-(cyclopropanecarbonyl)amino]propanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexen-1-yl)ethyl-(cyclopropanecarbonyl)amino]propanoic acid is sourced from PubChem (CID 82323978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).