methyl 3-(cyclohexylcarbamoylamino)propanoate

C11H20N2O3 — CID 11020645

IUPACmethyl 3-(cyclohexylcarbamoylamino)propanoate
SMILESCOC(=O)CCNC(=O)NC1CCCCC1
InChIInChI=1S/C11H20N2O3/c1-16-10(14)7-8-12-11(15)13-9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H2,12,13,15)
InChIKeyXKCASRKNACVGFN-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.18
Rot. Bonds4

About methyl 3-(cyclohexylcarbamoylamino)propanoate

methyl 3-(cyclohexylcarbamoylamino)propanoate (PubChem CID 11020645) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl 3-(cyclohexylcarbamoylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(cyclohexylcarbamoylamino)propanoate
PubChem CID11020645
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namemethyl 3-(cyclohexylcarbamoylamino)propanoate
SMILESCOC(=O)CCNC(=O)NC1CCCCC1
InChIInChI=1S/C11H20N2O3/c1-16-10(14)7-8-12-11(15)13-9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H2,12,13,15)
InChIKeyXKCASRKNACVGFN-UHFFFAOYSA-N
XLogP1.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 6-(3-cyclohexylureido)hexanoate
CID 43608139
Methyl 4-(3-cyclohexylureido)butanoate
CID 11160856
1-Cyclohexyl-3-(3-methoxypropyl)urea
CID 4063047
3-[(Cyclohexylcarbamoyl)amino]propanoic acid
CID 11020253
Methyl 2-(3-cyclohexylureido)acetate
CID 11053022
4-(3-Cyclohexylureido)-ethanoic acid
CID 129662029
methyl (2S)-2-(cyclohexylcarbamoylamino)propanoate
CID 946581
Ethyl 3-(3-(4,4-difluorocyclohexyl)ureido)propanoate
CID 121021909
Methyl 2-(cyclohexylcarbamoylamino)propanoate
CID 4440798
ethyl 3-{[N-(4-methylcyclohexyl)carbamoyl]amino}propanoate
CID 17174369
Ethyl 3-[(3-methylcyclohexyl)carbamoylamino]propanoate
CID 23378428
(Cyclohexylcarbamoylamino) propanoate
CID 57029614

Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclohexylcarbamoylamino)propanoate?
The IUPAC name of methyl 3-(cyclohexylcarbamoylamino)propanoate (CID 11020645) is methyl 3-(cyclohexylcarbamoylamino)propanoate.
What is the SMILES notation for methyl 3-(cyclohexylcarbamoylamino)propanoate?
The canonical SMILES for methyl 3-(cyclohexylcarbamoylamino)propanoate is COC(=O)CCNC(=O)NC1CCCCC1.
What is the InChIKey of methyl 3-(cyclohexylcarbamoylamino)propanoate?
The InChIKey is XKCASRKNACVGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-16-10(14)7-8-12-11(15)13-9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H2,12,13,15).
What are the key properties of methyl 3-(cyclohexylcarbamoylamino)propanoate?
methyl 3-(cyclohexylcarbamoylamino)propanoate has a molecular weight of 228.29 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclohexylcarbamoylamino)propanoate is sourced from PubChem (CID 11020645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).