2-(cyclohex-3-en-1-ylmethylamino)pentanoic acid

C12H21NO2 — CID 83041207

IUPAC2-(cyclohex-3-en-1-ylmethylamino)pentanoic acid
SMILESCCCC(NCC1CC=CCC1)C(=O)O
InChIInChI=1S/C12H21NO2/c1-2-6-11(12(14)15)13-9-10-7-4-3-5-8-10/h3-4,10-11,13H,2,5-9H2,1H3,(H,14,15)
InChIKeyFUZNEUSKQMVJCR-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.19
Rot. Bonds6

About 2-(cyclohex-3-en-1-ylmethylamino)pentanoic acid

2-(cyclohex-3-en-1-ylmethylamino)pentanoic acid (PubChem CID 83041207) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-(cyclohex-3-en-1-ylmethylamino)pentanoic acid.

Molecular Properties

Compound Name2-(cyclohex-3-en-1-ylmethylamino)pentanoic acid
PubChem CID83041207
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC Name2-(cyclohex-3-en-1-ylmethylamino)pentanoic acid
SMILESCCCC(NCC1CC=CCC1)C(=O)O
InChIInChI=1S/C12H21NO2/c1-2-6-11(12(14)15)13-9-10-7-4-3-5-8-10/h3-4,10-11,13H,2,5-9H2,1H3,(H,14,15)
InChIKeyFUZNEUSKQMVJCR-UHFFFAOYSA-N
XLogP2.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.19
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

2-(cyclohex-3-en-1-ylmethylamino)propanoic acid
CID 61499571
methyl 2-(cyclohex-3-en-1-ylmethylamino)-4-methylpentanoate
CID 43688891
2-(cyclohex-3-en-1-ylmethylamino)-N,4-dimethylpentanamide
CID 43750476
2-[(2-hydroxycyclohexyl)methylamino]pentanoic acid
CID 83040701
(2R)-2-(cyclohex-3-en-1-ylmethylamino)-N-methylpropanamide
CID 103838457
(2R)-2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol
CID 103924278
(2S)-2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol
CID 104980641
2-(cyclohex-3-en-1-ylmethylcarbamoylamino)-5-methoxypentanoic acid
CID 81085468
2-[[(2S)-2-cyclohexyl-2-hydroxyethyl]amino]pentanoic acid
CID 69166197
1-(cyclohex-3-en-1-ylmethyl)-3-propylurea
CID 89090826
(4R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]pentan-1-ol
CID 97051708
(2R)-4-amino-2-(cyclohex-3-en-1-ylmethylcarbamoylamino)-4-oxobutanoic acid
CID 107827339

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohex-3-en-1-ylmethylamino)pentanoic acid?
The IUPAC name of 2-(cyclohex-3-en-1-ylmethylamino)pentanoic acid (CID 83041207) is 2-(cyclohex-3-en-1-ylmethylamino)pentanoic acid.
What is the SMILES notation for 2-(cyclohex-3-en-1-ylmethylamino)pentanoic acid?
The canonical SMILES for 2-(cyclohex-3-en-1-ylmethylamino)pentanoic acid is CCCC(NCC1CC=CCC1)C(=O)O.
What is the InChIKey of 2-(cyclohex-3-en-1-ylmethylamino)pentanoic acid?
The InChIKey is FUZNEUSKQMVJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-6-11(12(14)15)13-9-10-7-4-3-5-8-10/h3-4,10-11,13H,2,5-9H2,1H3,(H,14,15).
What are the key properties of 2-(cyclohex-3-en-1-ylmethylamino)pentanoic acid?
2-(cyclohex-3-en-1-ylmethylamino)pentanoic acid has a molecular weight of 211.31 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-3-en-1-ylmethylamino)pentanoic acid is sourced from PubChem (CID 83041207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).