ethyl 3-[(3-methylcyclohexyl)carbamoylamino]propanoate

C13H24N2O3 — CID 23378428

IUPACethyl 3-[(3-methylcyclohexyl)carbamoylamino]propanoate
SMILESCCOC(=O)CCNC(=O)NC1CCCC(C)C1
InChIInChI=1S/C13H24N2O3/c1-3-18-12(16)7-8-14-13(17)15-11-6-4-5-10(2)9-11/h10-11H,3-9H2,1-2H3,(H2,14,15,17)
InChIKeyRGMYXQBPEDVCSL-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.82
Rot. Bonds5

About ethyl 3-[(3-methylcyclohexyl)carbamoylamino]propanoate

ethyl 3-[(3-methylcyclohexyl)carbamoylamino]propanoate (PubChem CID 23378428) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is ethyl 3-[(3-methylcyclohexyl)carbamoylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(3-methylcyclohexyl)carbamoylamino]propanoate
PubChem CID23378428
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nameethyl 3-[(3-methylcyclohexyl)carbamoylamino]propanoate
SMILESCCOC(=O)CCNC(=O)NC1CCCC(C)C1
InChIInChI=1S/C13H24N2O3/c1-3-18-12(16)7-8-14-13(17)15-11-6-4-5-10(2)9-11/h10-11H,3-9H2,1-2H3,(H2,14,15,17)
InChIKeyRGMYXQBPEDVCSL-UHFFFAOYSA-N
XLogP1.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-methylcyclohexyl)carbamoylamino]propanoate?
The IUPAC name of ethyl 3-[(3-methylcyclohexyl)carbamoylamino]propanoate (CID 23378428) is ethyl 3-[(3-methylcyclohexyl)carbamoylamino]propanoate.
What is the SMILES notation for ethyl 3-[(3-methylcyclohexyl)carbamoylamino]propanoate?
The canonical SMILES for ethyl 3-[(3-methylcyclohexyl)carbamoylamino]propanoate is CCOC(=O)CCNC(=O)NC1CCCC(C)C1.
What is the InChIKey of ethyl 3-[(3-methylcyclohexyl)carbamoylamino]propanoate?
The InChIKey is RGMYXQBPEDVCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-18-12(16)7-8-14-13(17)15-11-6-4-5-10(2)9-11/h10-11H,3-9H2,1-2H3,(H2,14,15,17).
What are the key properties of ethyl 3-[(3-methylcyclohexyl)carbamoylamino]propanoate?
ethyl 3-[(3-methylcyclohexyl)carbamoylamino]propanoate has a molecular weight of 256.35 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3-methylcyclohexyl)carbamoylamino]propanoate is sourced from PubChem (CID 23378428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).