methyl 2-[(4-methylcyclohexyl)carbamoylamino]propanoate

C12H22N2O3 — CID 4571639

IUPACmethyl 2-[(4-methylcyclohexyl)carbamoylamino]propanoate
SMILESCOC(=O)C(C)NC(=O)NC1CCC(C)CC1
InChIInChI=1S/C12H22N2O3/c1-8-4-6-10(7-5-8)14-12(16)13-9(2)11(15)17-3/h8-10H,4-7H2,1-3H3,(H2,13,14,16)
InChIKeyARWGOZHFVJSLMV-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.43
Rot. Bonds3

About methyl 2-[(4-methylcyclohexyl)carbamoylamino]propanoate

methyl 2-[(4-methylcyclohexyl)carbamoylamino]propanoate (PubChem CID 4571639) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl 2-[(4-methylcyclohexyl)carbamoylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(4-methylcyclohexyl)carbamoylamino]propanoate
PubChem CID4571639
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl 2-[(4-methylcyclohexyl)carbamoylamino]propanoate
SMILESCOC(=O)C(C)NC(=O)NC1CCC(C)CC1
InChIInChI=1S/C12H22N2O3/c1-8-4-6-10(7-5-8)14-12(16)13-9(2)11(15)17-3/h8-10H,4-7H2,1-3H3,(H2,13,14,16)
InChIKeyARWGOZHFVJSLMV-UHFFFAOYSA-N
XLogP1.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methylcyclohexyl)carbamoylamino]propanoate?
The IUPAC name of methyl 2-[(4-methylcyclohexyl)carbamoylamino]propanoate (CID 4571639) is methyl 2-[(4-methylcyclohexyl)carbamoylamino]propanoate.
What is the SMILES notation for methyl 2-[(4-methylcyclohexyl)carbamoylamino]propanoate?
The canonical SMILES for methyl 2-[(4-methylcyclohexyl)carbamoylamino]propanoate is COC(=O)C(C)NC(=O)NC1CCC(C)CC1.
What is the InChIKey of methyl 2-[(4-methylcyclohexyl)carbamoylamino]propanoate?
The InChIKey is ARWGOZHFVJSLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8-4-6-10(7-5-8)14-12(16)13-9(2)11(15)17-3/h8-10H,4-7H2,1-3H3,(H2,13,14,16).
What are the key properties of methyl 2-[(4-methylcyclohexyl)carbamoylamino]propanoate?
methyl 2-[(4-methylcyclohexyl)carbamoylamino]propanoate has a molecular weight of 242.32 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methylcyclohexyl)carbamoylamino]propanoate is sourced from PubChem (CID 4571639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).