methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]-2-methylpentanoate

C15H25NO3 — CID 63564232

IUPACmethyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)CC1=CCCCC1)C(=O)OC
InChIInChI=1S/C15H25NO3/c1-4-10-15(2,14(18)19-3)16-13(17)11-12-8-6-5-7-9-12/h8H,4-7,9-11H2,1-3H3,(H,16,17)
InChIKeyDVDHJJPTIULMJL-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.72
Rot. Bonds6

About methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]-2-methylpentanoate

methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]-2-methylpentanoate (PubChem CID 63564232) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]-2-methylpentanoate
PubChem CID63564232
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Namemethyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)CC1=CCCCC1)C(=O)OC
InChIInChI=1S/C15H25NO3/c1-4-10-15(2,14(18)19-3)16-13(17)11-12-8-6-5-7-9-12/h8H,4-7,9-11H2,1-3H3,(H,16,17)
InChIKeyDVDHJJPTIULMJL-UHFFFAOYSA-N
XLogP2.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-2-(cyclohexen-1-yl)acetamide
CID 63886786
methyl 2-(cyclohexen-1-yl)acetate
CID 11051874
methyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-methylpentanoate
CID 43423692
2-(cyclohexen-1-yl)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114601
methyl 2-methyl-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]pentanoate
CID 43431443
methyl 2-methyl-2-[(2-methylsulfanylacetyl)amino]pentanoate
CID 43431441
methyl 2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoate
CID 43431496
methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]propanoate
CID 63564809
methyl 2-methyl-2-[[2-(2-nitrophenyl)acetyl]amino]pentanoate
CID 134034462
methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]-5-methylbenzoate
CID 63564039
methyl 2-(3-methoxypropanoylamino)-2-methylpentanoate
CID 62591168
ethyl 2-(cycloocten-1-yl)acetate
CID 67663931

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]-2-methylpentanoate?
The IUPAC name of methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]-2-methylpentanoate (CID 63564232) is methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]-2-methylpentanoate.
What is the SMILES notation for methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]-2-methylpentanoate?
The canonical SMILES for methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]-2-methylpentanoate is CCCC(C)(NC(=O)CC1=CCCCC1)C(=O)OC.
What is the InChIKey of methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]-2-methylpentanoate?
The InChIKey is DVDHJJPTIULMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-4-10-15(2,14(18)19-3)16-13(17)11-12-8-6-5-7-9-12/h8H,4-7,9-11H2,1-3H3,(H,16,17).
What are the key properties of methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]-2-methylpentanoate?
methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]-2-methylpentanoate has a molecular weight of 267.37 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]-2-methylpentanoate is sourced from PubChem (CID 63564232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).