3-(2-ethylhexylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid

C13H26N2O4 — CID 107817453

IUPAC3-(2-ethylhexylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
SMILESCCCCC(CC)CNC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C13H26N2O4/c1-4-6-7-10(5-2)8-14-12(18)15-9-13(3,19)11(16)17/h10,19H,4-9H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyHHXPIUKSFBJHHY-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.34
Rot. Bonds9

About 3-(2-ethylhexylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid

3-(2-ethylhexylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid (PubChem CID 107817453) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-(2-ethylhexylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2-ethylhexylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
PubChem CID107817453
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name3-(2-ethylhexylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
SMILESCCCCC(CC)CNC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C13H26N2O4/c1-4-6-7-10(5-2)8-14-12(18)15-9-13(3,19)11(16)17/h10,19H,4-9H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyHHXPIUKSFBJHHY-UHFFFAOYSA-N
XLogP1.34
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 3-(2-ethylhexylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-ethylhexylcarbamoylamino)-2-methylpropanoic acid
CID 107817398
N-(2-ethylhexyl)-2-hydroxy-2-methylpropanamide
CID 104936564
1-[(2R)-2-ethylhexyl]-3-prop-2-ynylurea
CID 97027505
2-[[2-(2-ethylhexylcarbamoylamino)acetyl]amino]acetic acid
CID 107817392
N-(2-ethylhexyl)-2-hydroxy-2-methyldecanamide
CID 87571090
3-(2-ethylhexylcarbamoylamino)-2-methoxypropanoic acid
CID 106110667
1-(2-ethylhexyl)-3-propan-2-ylurea
CID 78858171
2-[(2-ethylhexylcarbamoylamino)methyl]-4-methylpentanoic acid
CID 107817347
(2R)-2-(2-ethylhexylcarbamoylamino)pentanoic acid
CID 107817439
3-(2-ethylhexylcarbamoylamino)pentanoic acid
CID 114004348
5-(2-ethylhexylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 55155767
1-(2-ethylhexyl)-3-(2-hydroxy-2-phenylethyl)urea
CID 55739531

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylhexylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-(2-ethylhexylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid (CID 107817453) is 3-(2-ethylhexylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-(2-ethylhexylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-(2-ethylhexylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid is CCCCC(CC)CNC(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 3-(2-ethylhexylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid?
The InChIKey is HHXPIUKSFBJHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-4-6-7-10(5-2)8-14-12(18)15-9-13(3,19)11(16)17/h10,19H,4-9H2,1-3H3,(H,16,17)(H2,14,15,18).
What are the key properties of 3-(2-ethylhexylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid?
3-(2-ethylhexylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid has a molecular weight of 274.36 g/mol, XLogP of 1.34, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylhexylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 107817453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).