4-[(1-ethenylcyclobutanecarbonyl)amino]cyclohexane-1-carboxylic acid

C14H21NO3 — CID 143093613

IUPAC4-[(1-ethenylcyclobutanecarbonyl)amino]cyclohexane-1-carboxylic acid
SMILESC=CC1(C(=O)NC2CCC(C(=O)O)CC2)CCC1
InChIInChI=1S/C14H21NO3/c1-2-14(8-3-9-14)13(18)15-11-6-4-10(5-7-11)12(16)17/h2,10-11H,1,3-9H2,(H,15,18)(H,16,17)
InChIKeyZZMRMMBEEISYQF-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.10
Rot. Bonds4

About 4-[(1-ethenylcyclobutanecarbonyl)amino]cyclohexane-1-carboxylic acid

4-[(1-ethenylcyclobutanecarbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 143093613) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[(1-ethenylcyclobutanecarbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1-ethenylcyclobutanecarbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID143093613
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name4-[(1-ethenylcyclobutanecarbonyl)amino]cyclohexane-1-carboxylic acid
SMILESC=CC1(C(=O)NC2CCC(C(=O)O)CC2)CCC1
InChIInChI=1S/C14H21NO3/c1-2-14(8-3-9-14)13(18)15-11-6-4-10(5-7-11)12(16)17/h2,10-11H,1,3-9H2,(H,15,18)(H,16,17)
InChIKeyZZMRMMBEEISYQF-UHFFFAOYSA-N
XLogP2.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(1-Prop-2-enylcyclopentyl)methylamino]cyclohexane-1-carboxylic acid
CID 122035113
4-(2,2-Dimethylbutanoylamino)cyclohexane-1-carboxylic acid
CID 20761304
4-(Prop-2-enoylamino)cyclohexane-1-carboxylic acid
CID 60808068
4-(2,2-Dimethylpropanamido)cyclohexane-1-carboxylic acid
CID 60809347
CID 67704562
CID 67704562
2-[4-(But-3-enoylamino)cyclohexyl]acetic acid
CID 10537180
4-(But-3-enoylamino)cyclohexane-1-carboxylic acid
CID 10584607
4-(3,3-Dimethylbutanoylamino)cyclohexane-1-carboxylic acid
CID 54921132
4-(Cyclobutanecarbonylamino)cyclohexane-1-carboxylic acid
CID 60808210
4-(Cyclohex-3-ene-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 60808865
4-[(2-Cyclopent-2-en-1-ylacetyl)amino]cyclohexane-1-carboxylic acid
CID 60809027
4-(3,5,5-Trimethylhexanoylamino)cyclohexane-1-carboxylic acid
CID 60810171

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethenylcyclobutanecarbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(1-ethenylcyclobutanecarbonyl)amino]cyclohexane-1-carboxylic acid (CID 143093613) is 4-[(1-ethenylcyclobutanecarbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(1-ethenylcyclobutanecarbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(1-ethenylcyclobutanecarbonyl)amino]cyclohexane-1-carboxylic acid is C=CC1(C(=O)NC2CCC(C(=O)O)CC2)CCC1.
What is the InChIKey of 4-[(1-ethenylcyclobutanecarbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is ZZMRMMBEEISYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-2-14(8-3-9-14)13(18)15-11-6-4-10(5-7-11)12(16)17/h2,10-11H,1,3-9H2,(H,15,18)(H,16,17).
What are the key properties of 4-[(1-ethenylcyclobutanecarbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(1-ethenylcyclobutanecarbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethenylcyclobutanecarbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 143093613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).