3-[[1-(2-methoxyethyl)cyclohexyl]methylcarbamoylamino]propanoic acid

C14H26N2O4 — CID 122010715

IUPAC3-[[1-(2-methoxyethyl)cyclohexyl]methylcarbamoylamino]propanoic acid
SMILESCOCCC1(CNC(=O)NCCC(=O)O)CCCCC1
InChIInChI=1S/C14H26N2O4/c1-20-10-8-14(6-3-2-4-7-14)11-16-13(19)15-9-5-12(17)18/h2-11H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeySMYBCUJWQSAIFL-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.75
Rot. Bonds8

About 3-[[1-(2-methoxyethyl)cyclohexyl]methylcarbamoylamino]propanoic acid

3-[[1-(2-methoxyethyl)cyclohexyl]methylcarbamoylamino]propanoic acid (PubChem CID 122010715) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-[[1-(2-methoxyethyl)cyclohexyl]methylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[[1-(2-methoxyethyl)cyclohexyl]methylcarbamoylamino]propanoic acid
PubChem CID122010715
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name3-[[1-(2-methoxyethyl)cyclohexyl]methylcarbamoylamino]propanoic acid
SMILESCOCCC1(CNC(=O)NCCC(=O)O)CCCCC1
InChIInChI=1S/C14H26N2O4/c1-20-10-8-14(6-3-2-4-7-14)11-16-13(19)15-9-5-12(17)18/h2-11H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeySMYBCUJWQSAIFL-UHFFFAOYSA-N
XLogP1.75
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-propylcyclobutyl)methylcarbamoylamino]butanoic acid
CID 122006389
3-[(1-prop-2-enylcyclopentyl)methylcarbamoylamino]propanoic acid
CID 122016649
4-[[1-(2-hydroxyethyl)cyclopentyl]methylcarbamoylamino]butanoic acid
CID 122023043
3-[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]propanoic acid
CID 120515250
2-(2-methoxyethylamino)-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]acetamide
CID 119812143
1-[(4-fluorophenyl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea
CID 71918772
4-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122006589
2-methoxy-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]ethanamine
CID 62723578
1-cyclopentyl-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
CID 103793592
1-cyclobutyl-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
CID 103793976
1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea
CID 71850983
4-[2-[1-(methoxymethyl)cyclobutyl]ethylcarbamoylamino]butanoic acid
CID 122015399

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methoxyethyl)cyclohexyl]methylcarbamoylamino]propanoic acid?
The IUPAC name of 3-[[1-(2-methoxyethyl)cyclohexyl]methylcarbamoylamino]propanoic acid (CID 122010715) is 3-[[1-(2-methoxyethyl)cyclohexyl]methylcarbamoylamino]propanoic acid.
What is the SMILES notation for 3-[[1-(2-methoxyethyl)cyclohexyl]methylcarbamoylamino]propanoic acid?
The canonical SMILES for 3-[[1-(2-methoxyethyl)cyclohexyl]methylcarbamoylamino]propanoic acid is COCCC1(CNC(=O)NCCC(=O)O)CCCCC1.
What is the InChIKey of 3-[[1-(2-methoxyethyl)cyclohexyl]methylcarbamoylamino]propanoic acid?
The InChIKey is SMYBCUJWQSAIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-20-10-8-14(6-3-2-4-7-14)11-16-13(19)15-9-5-12(17)18/h2-11H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 3-[[1-(2-methoxyethyl)cyclohexyl]methylcarbamoylamino]propanoic acid?
3-[[1-(2-methoxyethyl)cyclohexyl]methylcarbamoylamino]propanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.75, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methoxyethyl)cyclohexyl]methylcarbamoylamino]propanoic acid is sourced from PubChem (CID 122010715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).