methyl 5-[2-(cyclohexen-1-yl)ethylcarbamoylamino]pentanoate

C15H26N2O3 — CID 60591326

IUPACmethyl 5-[2-(cyclohexen-1-yl)ethylcarbamoylamino]pentanoate
SMILESCOC(=O)CCCCNC(=O)NCCC1=CCCCC1
InChIInChI=1S/C15H26N2O3/c1-20-14(18)9-5-6-11-16-15(19)17-12-10-13-7-3-2-4-8-13/h7H,2-6,8-12H2,1H3,(H2,16,17,19)
InChIKeyRCQAYLPYLOGETI-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.52
Rot. Bonds8

About methyl 5-[2-(cyclohexen-1-yl)ethylcarbamoylamino]pentanoate

methyl 5-[2-(cyclohexen-1-yl)ethylcarbamoylamino]pentanoate (PubChem CID 60591326) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is methyl 5-[2-(cyclohexen-1-yl)ethylcarbamoylamino]pentanoate.

Molecular Properties

Compound Namemethyl 5-[2-(cyclohexen-1-yl)ethylcarbamoylamino]pentanoate
PubChem CID60591326
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Namemethyl 5-[2-(cyclohexen-1-yl)ethylcarbamoylamino]pentanoate
SMILESCOC(=O)CCCCNC(=O)NCCC1=CCCCC1
InChIInChI=1S/C15H26N2O3/c1-20-14(18)9-5-6-11-16-15(19)17-12-10-13-7-3-2-4-8-13/h7H,2-6,8-12H2,1H3,(H2,16,17,19)
InChIKeyRCQAYLPYLOGETI-UHFFFAOYSA-N
XLogP2.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
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

1-[2-(cyclohexen-1-yl)ethyl]-3-(5-methoxypentyl)urea
CID 122160040
methyl 5-[[[2-(cyclohexen-1-yl)ethylamino]-(ethylamino)methylidene]amino]pentanoate;hydroiodide
CID 111208209
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-ethoxyethyl)urea
CID 86998860
N'-[2-(cyclohexen-1-yl)ethyl]-N-heptylbutanediamide
CID 3289082
ethyl 4-[[N-[2-(cyclohexen-1-yl)ethyl]-N'-methylcarbamimidoyl]amino]butanoate;hydroiodide
CID 111208241
3-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-3-methylbutanoic acid
CID 107856010
5-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-methylpentanoic acid
CID 107856038
methyl 4-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidin-1-yl]-4-oxobutanoate
CID 3851914
methyl N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]carbamate
CID 112991092
1-[2-(cyclohexen-1-yl)ethyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111470962
5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-2-methylpentanoic acid
CID 106178518
5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
CID 2932918

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(cyclohexen-1-yl)ethylcarbamoylamino]pentanoate?
The IUPAC name of methyl 5-[2-(cyclohexen-1-yl)ethylcarbamoylamino]pentanoate (CID 60591326) is methyl 5-[2-(cyclohexen-1-yl)ethylcarbamoylamino]pentanoate.
What is the SMILES notation for methyl 5-[2-(cyclohexen-1-yl)ethylcarbamoylamino]pentanoate?
The canonical SMILES for methyl 5-[2-(cyclohexen-1-yl)ethylcarbamoylamino]pentanoate is COC(=O)CCCCNC(=O)NCCC1=CCCCC1.
What is the InChIKey of methyl 5-[2-(cyclohexen-1-yl)ethylcarbamoylamino]pentanoate?
The InChIKey is RCQAYLPYLOGETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-20-14(18)9-5-6-11-16-15(19)17-12-10-13-7-3-2-4-8-13/h7H,2-6,8-12H2,1H3,(H2,16,17,19).
What are the key properties of methyl 5-[2-(cyclohexen-1-yl)ethylcarbamoylamino]pentanoate?
methyl 5-[2-(cyclohexen-1-yl)ethylcarbamoylamino]pentanoate has a molecular weight of 282.38 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-(cyclohexen-1-yl)ethylcarbamoylamino]pentanoate is sourced from PubChem (CID 60591326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).