4-(pent-4-enoylamino)cyclohexane-1-carboxylic acid

C12H19NO3 — CID 62685687

IUPAC4-(pent-4-enoylamino)cyclohexane-1-carboxylic acid
SMILESC=CCCC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C12H19NO3/c1-2-3-4-11(14)13-10-7-5-9(6-8-10)12(15)16/h2,9-10H,1,3-8H2,(H,13,14)(H,15,16)
InChIKeyDNYXLVJOYJIAHP-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.71
Rot. Bonds5

About 4-(pent-4-enoylamino)cyclohexane-1-carboxylic acid

4-(pent-4-enoylamino)cyclohexane-1-carboxylic acid (PubChem CID 62685687) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-(pent-4-enoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(pent-4-enoylamino)cyclohexane-1-carboxylic acid
PubChem CID62685687
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name4-(pent-4-enoylamino)cyclohexane-1-carboxylic acid
SMILESC=CCCC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C12H19NO3/c1-2-3-4-11(14)13-10-7-5-9(6-8-10)12(15)16/h2,9-10H,1,3-8H2,(H,13,14)(H,15,16)
InChIKeyDNYXLVJOYJIAHP-UHFFFAOYSA-N
XLogP1.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.71
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-Acetamidocyclohexane-1-carboxylic acid
CID 14788214
4-Cyclopentaneamidocyclohexane-1-carboxylic acid
CID 21572331
4-(2-Cyclopentylacetamido)cyclohexane-1-carboxylic acid
CID 47003024
4-(2-Cyclohexylacetamido)cyclohexane-1-carboxylic acid
CID 47003034
4-[(1-Prop-2-enylcyclopentyl)methylamino]cyclohexane-1-carboxylic acid
CID 122035113
4-[[1-(2-Carboxypentyl)cyclopent-3-ene-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 19775785
4-(2,2-Dimethylbutanoylamino)cyclohexane-1-carboxylic acid
CID 20761304
(1S,3R,4S)-3-[(1S)-1-acetamido-3-ethylpentyl]-4-ethenylcyclopentane-1-carboxylic acid
CID 23563596
trans-(1R,2R)-2-(pent-4-enoylamino)cyclohexane-1-carboxylic acid
CID 57874012
cis-(1R,2S)-2-(pent-4-enoylamino)cyclohexane-1-carboxylic acid
CID 57874013
cis-(1R,3S)-3-(pent-4-enoylamino)cyclopentane-1-carboxylic acid
CID 57874047
cis-(1S,3R)-3-(pent-4-enoylamino)cyclopentane-1-carboxylic acid
CID 57874102

Frequently Asked Questions

What is the IUPAC name of 4-(pent-4-enoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(pent-4-enoylamino)cyclohexane-1-carboxylic acid (CID 62685687) is 4-(pent-4-enoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(pent-4-enoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(pent-4-enoylamino)cyclohexane-1-carboxylic acid is C=CCCC(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(pent-4-enoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is DNYXLVJOYJIAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-2-3-4-11(14)13-10-7-5-9(6-8-10)12(15)16/h2,9-10H,1,3-8H2,(H,13,14)(H,15,16).
What are the key properties of 4-(pent-4-enoylamino)cyclohexane-1-carboxylic acid?
4-(pent-4-enoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 225.29 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pent-4-enoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 62685687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).