4-[[2-(cyclohexen-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid

C15H23NO3 — CID 63564216

IUPAC4-[[2-(cyclohexen-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(CC1=CCCCC1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H23NO3/c17-14(10-11-4-2-1-3-5-11)16-13-8-6-12(7-9-13)15(18)19/h4,12-13H,1-3,5-10H2,(H,16,17)(H,18,19)
InChIKeyBOTXUHUKESRCKF-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.64
Rot. Bonds4

About 4-[[2-(cyclohexen-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid

4-[[2-(cyclohexen-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 63564216) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-[[2-(cyclohexen-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(cyclohexen-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID63564216
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-[[2-(cyclohexen-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(CC1=CCCCC1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H23NO3/c17-14(10-11-4-2-1-3-5-11)16-13-8-6-12(7-9-13)15(18)19/h4,12-13H,1-3,5-10H2,(H,16,17)(H,18,19)
InChIKeyBOTXUHUKESRCKF-UHFFFAOYSA-N
XLogP2.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(cyclohexen-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-(cyclohexen-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid (CID 63564216) is 4-[[2-(cyclohexen-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(cyclohexen-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-(cyclohexen-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid is O=C(CC1=CCCCC1)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[2-(cyclohexen-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is BOTXUHUKESRCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c17-14(10-11-4-2-1-3-5-11)16-13-8-6-12(7-9-13)15(18)19/h4,12-13H,1-3,5-10H2,(H,16,17)(H,18,19).
What are the key properties of 4-[[2-(cyclohexen-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-(cyclohexen-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 265.35 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(cyclohexen-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63564216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).