4-[(2-ethylcyclohexyl)carbamoylamino]-3-methoxybutanoic acid

C14H26N2O4 — CID 103158850

IUPAC4-[(2-ethylcyclohexyl)carbamoylamino]-3-methoxybutanoic acid
SMILESCCC1CCCCC1NC(=O)NCC(CC(=O)O)OC
InChIInChI=1S/C14H26N2O4/c1-3-10-6-4-5-7-12(10)16-14(19)15-9-11(20-2)8-13(17)18/h10-12H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyBIXOHULWGIJSCN-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.74
Rot. Bonds7

About 4-[(2-ethylcyclohexyl)carbamoylamino]-3-methoxybutanoic acid

4-[(2-ethylcyclohexyl)carbamoylamino]-3-methoxybutanoic acid (PubChem CID 103158850) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-[(2-ethylcyclohexyl)carbamoylamino]-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-[(2-ethylcyclohexyl)carbamoylamino]-3-methoxybutanoic acid
PubChem CID103158850
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name4-[(2-ethylcyclohexyl)carbamoylamino]-3-methoxybutanoic acid
SMILESCCC1CCCCC1NC(=O)NCC(CC(=O)O)OC
InChIInChI=1S/C14H26N2O4/c1-3-10-6-4-5-7-12(10)16-14(19)15-9-11(20-2)8-13(17)18/h10-12H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyBIXOHULWGIJSCN-UHFFFAOYSA-N
XLogP1.74
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-Ethylcyclohexyl)carbamoylamino]-3-hydroxypropanoic acid
CID 54955699
(2S)-2-[(2-ethylcyclohexyl)carbamoylamino]-3-hydroxypropanoic acid
CID 54955750
3-Hydroxy-2-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]butanoic acid
CID 55003996
3-Hydroxy-2-[(2-methylcyclohexyl)methylcarbamoylamino]butanoic acid
CID 55011841
2-(1-Cyclohexylpropylcarbamoylamino)-3-hydroxypropanoic acid
CID 55069559
3-Hydroxy-2-[(4-methylcyclohexyl)carbamoylamino]butanoic acid
CID 61184382
3-Hydroxy-2-[(2-methylcyclohexyl)carbamoylamino]butanoic acid
CID 61190505
2-[(2,3-Dimethylcyclohexyl)carbamoylamino]-3-hydroxybutanoic acid
CID 61190934
3-Hydroxy-2-[(2-methylcyclohexyl)carbamoylamino]propanoic acid
CID 61191187
(2S)-3-hydroxy-2-[(2-methylcyclohexyl)carbamoylamino]propanoic acid
CID 61191702
3-Hydroxy-2-[(3-methylcyclohexyl)carbamoylamino]butanoic acid
CID 61198578
2-(Cyclohexylmethylcarbamoylamino)-3-hydroxybutanoic acid
CID 61199156

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylcyclohexyl)carbamoylamino]-3-methoxybutanoic acid?
The IUPAC name of 4-[(2-ethylcyclohexyl)carbamoylamino]-3-methoxybutanoic acid (CID 103158850) is 4-[(2-ethylcyclohexyl)carbamoylamino]-3-methoxybutanoic acid.
What is the SMILES notation for 4-[(2-ethylcyclohexyl)carbamoylamino]-3-methoxybutanoic acid?
The canonical SMILES for 4-[(2-ethylcyclohexyl)carbamoylamino]-3-methoxybutanoic acid is CCC1CCCCC1NC(=O)NCC(CC(=O)O)OC.
What is the InChIKey of 4-[(2-ethylcyclohexyl)carbamoylamino]-3-methoxybutanoic acid?
The InChIKey is BIXOHULWGIJSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-10-6-4-5-7-12(10)16-14(19)15-9-11(20-2)8-13(17)18/h10-12H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 4-[(2-ethylcyclohexyl)carbamoylamino]-3-methoxybutanoic acid?
4-[(2-ethylcyclohexyl)carbamoylamino]-3-methoxybutanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylcyclohexyl)carbamoylamino]-3-methoxybutanoic acid is sourced from PubChem (CID 103158850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).