3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid

C14H26N2O4 — CID 82327378

IUPAC3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid
SMILESCN(C(=O)CN(CCO)CCC(=O)O)C1CCCCC1
InChIInChI=1S/C14H26N2O4/c1-15(12-5-3-2-4-6-12)13(18)11-16(9-10-17)8-7-14(19)20/h12,17H,2-11H2,1H3,(H,19,20)
InChIKeyRMVOCHMRUARECA-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.55
Rot. Bonds8

About 3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid

3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid (PubChem CID 82327378) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid
PubChem CID82327378
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid
SMILESCN(C(=O)CN(CCO)CCC(=O)O)C1CCCCC1
InChIInChI=1S/C14H26N2O4/c1-15(12-5-3-2-4-6-12)13(18)11-16(9-10-17)8-7-14(19)20/h12,17H,2-11H2,1H3,(H,19,20)
InChIKeyRMVOCHMRUARECA-UHFFFAOYSA-N
XLogP0.55
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-[2-hydroxyethyl(2-methoxyethyl)amino]-N-methylacetamide
CID 115613753
N-cycloheptyl-2-hydroxy-N-methylacetamide
CID 130678772
2-[cyclobutyl(2-hydroxyethyl)amino]-N-cyclohexyl-N-methylacetamide
CID 102676811
N-cyclohexyl-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylacetamide
CID 60774513
3-[ethyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid
CID 61010939
N-cyclobutyl-2-hydroxy-N-methylacetamide
CID 115139792
2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
CID 63066641
4-[cyclobutyl(methyl)amino]-4-oxobutanoic acid
CID 115909710
2-[cyclobutyl(3-hydroxypropyl)amino]-N-cyclohexyl-N-methylacetamide
CID 102848635
3-[cyclododecyl(methyl)amino]propanoic acid
CID 65063573
N-cyclopropyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-methylacetamide
CID 107484970
4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]carbamoylamino]butanoic acid
CID 122005059

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid?
The IUPAC name of 3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid (CID 82327378) is 3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid.
What is the SMILES notation for 3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid?
The canonical SMILES for 3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid is CN(C(=O)CN(CCO)CCC(=O)O)C1CCCCC1.
What is the InChIKey of 3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid?
The InChIKey is RMVOCHMRUARECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-15(12-5-3-2-4-6-12)13(18)11-16(9-10-17)8-7-14(19)20/h12,17H,2-11H2,1H3,(H,19,20).
What are the key properties of 3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid?
3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid has a molecular weight of 286.37 g/mol, XLogP of 0.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid is sourced from PubChem (CID 82327378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).