6-[[2-(cyclohexen-1-yl)acetyl]amino]hexanoic acid

C14H23NO3 — CID 63565537

IUPAC6-[[2-(cyclohexen-1-yl)acetyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)CC1=CCCCC1
InChIInChI=1S/C14H23NO3/c16-13(11-12-7-3-1-4-8-12)15-10-6-2-5-9-14(17)18/h7H,1-6,8-11H2,(H,15,16)(H,17,18)
InChIKeyFXGASMZAOQSRIL-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.64
Rot. Bonds8

About 6-[[2-(cyclohexen-1-yl)acetyl]amino]hexanoic acid

6-[[2-(cyclohexen-1-yl)acetyl]amino]hexanoic acid (PubChem CID 63565537) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 6-[[2-(cyclohexen-1-yl)acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[2-(cyclohexen-1-yl)acetyl]amino]hexanoic acid
PubChem CID63565537
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name6-[[2-(cyclohexen-1-yl)acetyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)CC1=CCCCC1
InChIInChI=1S/C14H23NO3/c16-13(11-12-7-3-1-4-8-12)15-10-6-2-5-9-14(17)18/h7H,1-6,8-11H2,(H,15,16)(H,17,18)
InChIKeyFXGASMZAOQSRIL-UHFFFAOYSA-N
XLogP2.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-2-(cyclohexen-1-yl)acetamide
CID 63564998
5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
CID 2932918
2-(cyclohexen-1-yl)-N-[3-(2-hydroxyethoxy)propyl]acetamide
CID 110022186
N-[6-[2-(cyclohexen-1-yl)ethylamino]-6-oxohexyl]benzamide
CID 110839487
2-(cyclohexen-1-yl)-N-[2-(cyclopropylamino)ethyl]acetamide
CID 63563665
N'-[2-(cyclohexen-1-yl)ethyl]-N-heptylbutanediamide
CID 3289082
2-(cyclohexen-1-yl)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]acetamide
CID 97039150
2-(cyclohexen-1-yl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide
CID 111433969
N-[2-(cyclohexen-1-yl)ethyl]-3-oxododecanamide
CID 56669533
6-[[2-(4-fluorophenyl)acetyl]amino]hexanoic acid
CID 16793042
4-[2-(cyclohexen-1-yl)ethylamino]butanoic acid
CID 62324339
7-[[2-(4-bromophenyl)acetyl]amino]heptanoic acid
CID 24702414

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(cyclohexen-1-yl)acetyl]amino]hexanoic acid?
The IUPAC name of 6-[[2-(cyclohexen-1-yl)acetyl]amino]hexanoic acid (CID 63565537) is 6-[[2-(cyclohexen-1-yl)acetyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[2-(cyclohexen-1-yl)acetyl]amino]hexanoic acid?
The canonical SMILES for 6-[[2-(cyclohexen-1-yl)acetyl]amino]hexanoic acid is O=C(O)CCCCCNC(=O)CC1=CCCCC1.
What is the InChIKey of 6-[[2-(cyclohexen-1-yl)acetyl]amino]hexanoic acid?
The InChIKey is FXGASMZAOQSRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c16-13(11-12-7-3-1-4-8-12)15-10-6-2-5-9-14(17)18/h7H,1-6,8-11H2,(H,15,16)(H,17,18).
What are the key properties of 6-[[2-(cyclohexen-1-yl)acetyl]amino]hexanoic acid?
6-[[2-(cyclohexen-1-yl)acetyl]amino]hexanoic acid has a molecular weight of 253.34 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(cyclohexen-1-yl)acetyl]amino]hexanoic acid is sourced from PubChem (CID 63565537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).