2-(cyclohex-3-en-1-ylmethylcarbamoylamino)-5-methoxypentanoic acid

C14H24N2O4 — CID 81085468

IUPAC2-(cyclohex-3-en-1-ylmethylcarbamoylamino)-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)NCC1CC=CCC1)C(=O)O
InChIInChI=1S/C14H24N2O4/c1-20-9-5-8-12(13(17)18)16-14(19)15-10-11-6-3-2-4-7-11/h2-3,11-12H,4-10H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyRKHRAOYYKIGDEN-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.52
Rot. Bonds8

About 2-(cyclohex-3-en-1-ylmethylcarbamoylamino)-5-methoxypentanoic acid

2-(cyclohex-3-en-1-ylmethylcarbamoylamino)-5-methoxypentanoic acid (PubChem CID 81085468) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(cyclohex-3-en-1-ylmethylcarbamoylamino)-5-methoxypentanoic acid.

Molecular Properties

Compound Name2-(cyclohex-3-en-1-ylmethylcarbamoylamino)-5-methoxypentanoic acid
PubChem CID81085468
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-(cyclohex-3-en-1-ylmethylcarbamoylamino)-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)NCC1CC=CCC1)C(=O)O
InChIInChI=1S/C14H24N2O4/c1-20-9-5-8-12(13(17)18)16-14(19)15-10-11-6-3-2-4-7-11/h2-3,11-12H,4-10H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyRKHRAOYYKIGDEN-UHFFFAOYSA-N
XLogP1.52
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

(2R)-4-amino-2-(cyclohex-3-en-1-ylmethylcarbamoylamino)-4-oxobutanoic acid
CID 107827339
4-methoxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid
CID 63244716
2-(3-cyclopentylpropylcarbamoylamino)-5-methoxypentanoic acid
CID 106005297
2-(cyclohex-3-en-1-ylmethylamino)pentanoic acid
CID 83041207
5-amino-N-(cyclohex-3-en-1-ylmethyl)-2-methylpentanamide
CID 104684940
5-methoxy-2-(propanoylamino)pentanoic acid
CID 81076989
2-[[2-(azetidin-3-yl)acetyl]amino]-5-methoxypentanoic acid
CID 81079004
(2S)-2-(cyclopropylmethylcarbamoylamino)pentanedioic acid
CID 61183186
1-(cyclohex-3-en-1-ylmethyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 71915662
5-methoxy-2-(2-methylsulfonylethylcarbamoylamino)pentanoic acid
CID 81085605
2-[3-(dimethylamino)propylcarbamoylamino]-5-methoxypentanoic acid
CID 81085258
1-(cyclohex-3-en-1-ylmethyl)-3-[1-(4-methoxyphenyl)propyl]urea
CID 60593300

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohex-3-en-1-ylmethylcarbamoylamino)-5-methoxypentanoic acid?
The IUPAC name of 2-(cyclohex-3-en-1-ylmethylcarbamoylamino)-5-methoxypentanoic acid (CID 81085468) is 2-(cyclohex-3-en-1-ylmethylcarbamoylamino)-5-methoxypentanoic acid.
What is the SMILES notation for 2-(cyclohex-3-en-1-ylmethylcarbamoylamino)-5-methoxypentanoic acid?
The canonical SMILES for 2-(cyclohex-3-en-1-ylmethylcarbamoylamino)-5-methoxypentanoic acid is COCCCC(NC(=O)NCC1CC=CCC1)C(=O)O.
What is the InChIKey of 2-(cyclohex-3-en-1-ylmethylcarbamoylamino)-5-methoxypentanoic acid?
The InChIKey is RKHRAOYYKIGDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-20-9-5-8-12(13(17)18)16-14(19)15-10-11-6-3-2-4-7-11/h2-3,11-12H,4-10H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-(cyclohex-3-en-1-ylmethylcarbamoylamino)-5-methoxypentanoic acid?
2-(cyclohex-3-en-1-ylmethylcarbamoylamino)-5-methoxypentanoic acid has a molecular weight of 284.36 g/mol, XLogP of 1.52, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-3-en-1-ylmethylcarbamoylamino)-5-methoxypentanoic acid is sourced from PubChem (CID 81085468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).