methyl 3-[[2-(cyclohexen-1-yl)acetyl]-(2-methoxyethyl)amino]propanoate

C15H25NO4 — CID 78959270

IUPACmethyl 3-[[2-(cyclohexen-1-yl)acetyl]-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)CC1=CCCCC1
InChIInChI=1S/C15H25NO4/c1-19-11-10-16(9-8-15(18)20-2)14(17)12-13-6-4-3-5-7-13/h6H,3-5,7-12H2,1-2H3
InChIKeyPABTZCPFPWUVNC-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.91
Rot. Bonds8

About methyl 3-[[2-(cyclohexen-1-yl)acetyl]-(2-methoxyethyl)amino]propanoate

methyl 3-[[2-(cyclohexen-1-yl)acetyl]-(2-methoxyethyl)amino]propanoate (PubChem CID 78959270) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is methyl 3-[[2-(cyclohexen-1-yl)acetyl]-(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(cyclohexen-1-yl)acetyl]-(2-methoxyethyl)amino]propanoate
PubChem CID78959270
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Namemethyl 3-[[2-(cyclohexen-1-yl)acetyl]-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)CC1=CCCCC1
InChIInChI=1S/C15H25NO4/c1-19-11-10-16(9-8-15(18)20-2)14(17)12-13-6-4-3-5-7-13/h6H,3-5,7-12H2,1-2H3
InChIKeyPABTZCPFPWUVNC-UHFFFAOYSA-N
XLogP1.91
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(cyclohexen-1-yl)acetate
CID 11051874
methyl 2-[[2-(cyclohexen-1-yl)acetyl]-propan-2-ylamino]acetate
CID 63565005
3-[2-(cyclohexen-1-yl)ethyl-pentanoylamino]propanoic acid
CID 82323533
methyl 3-[3,3-dimethylbutanoyl(2-methoxyethyl)amino]propanoate
CID 78959557
methyl 3-[2-methoxyethyl-(2-methylsulfanylacetyl)amino]propanoate
CID 78958925
methyl 3-[2-methoxyethyl(octanoyl)amino]propanoate
CID 78959043
methyl 3-[heptanoyl(2-methoxyethyl)amino]propanoate
CID 78959098
3-[[2-(cyclohexen-1-yl)acetyl]-cyclopropylamino]propanoic acid
CID 63564407
methyl 3-[2-methoxyethyl(3,4,4-trimethylpentanoyl)amino]propanoate
CID 78958993
methyl 3-[(3,5-dimethylbenzoyl)-(2-methoxyethyl)amino]propanoate
CID 78959076
1-(cyclohexen-1-yl)-5-methoxy-3-methylpentan-2-one
CID 116659751
ethyl 2-(cycloocten-1-yl)acetate
CID 67663931

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(cyclohexen-1-yl)acetyl]-(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 3-[[2-(cyclohexen-1-yl)acetyl]-(2-methoxyethyl)amino]propanoate (CID 78959270) is methyl 3-[[2-(cyclohexen-1-yl)acetyl]-(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[[2-(cyclohexen-1-yl)acetyl]-(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 3-[[2-(cyclohexen-1-yl)acetyl]-(2-methoxyethyl)amino]propanoate is COCCN(CCC(=O)OC)C(=O)CC1=CCCCC1.
What is the InChIKey of methyl 3-[[2-(cyclohexen-1-yl)acetyl]-(2-methoxyethyl)amino]propanoate?
The InChIKey is PABTZCPFPWUVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-19-11-10-16(9-8-15(18)20-2)14(17)12-13-6-4-3-5-7-13/h6H,3-5,7-12H2,1-2H3.
What are the key properties of methyl 3-[[2-(cyclohexen-1-yl)acetyl]-(2-methoxyethyl)amino]propanoate?
methyl 3-[[2-(cyclohexen-1-yl)acetyl]-(2-methoxyethyl)amino]propanoate has a molecular weight of 283.37 g/mol, XLogP of 1.91, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(cyclohexen-1-yl)acetyl]-(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 78959270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).