3-hydroxy-3-methyl-4-(2-pyridin-4-ylethylcarbamoylamino)butanoic acid

C13H19N3O4 — CID 66001214

IUPAC3-hydroxy-3-methyl-4-(2-pyridin-4-ylethylcarbamoylamino)butanoic acid
SMILESCC(O)(CNC(=O)NCCc1ccncc1)CC(=O)O
InChIInChI=1S/C13H19N3O4/c1-13(20,8-11(17)18)9-16-12(19)15-7-4-10-2-5-14-6-3-10/h2-3,5-6,20H,4,7-9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyGLUHXHFRHCBEGB-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.15
Rot. Bonds7

About 3-hydroxy-3-methyl-4-(2-pyridin-4-ylethylcarbamoylamino)butanoic acid

3-hydroxy-3-methyl-4-(2-pyridin-4-ylethylcarbamoylamino)butanoic acid (PubChem CID 66001214) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-hydroxy-3-methyl-4-(2-pyridin-4-ylethylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name3-hydroxy-3-methyl-4-(2-pyridin-4-ylethylcarbamoylamino)butanoic acid
PubChem CID66001214
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name3-hydroxy-3-methyl-4-(2-pyridin-4-ylethylcarbamoylamino)butanoic acid
SMILESCC(O)(CNC(=O)NCCc1ccncc1)CC(=O)O
InChIInChI=1S/C13H19N3O4/c1-13(20,8-11(17)18)9-16-12(19)15-7-4-10-2-5-14-6-3-10/h2-3,5-6,20H,4,7-9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyGLUHXHFRHCBEGB-UHFFFAOYSA-N
XLogP0.15
TPSA111.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-hydroxy-3-methyl-4-(2-pyridin-4-ylethylcarbamoylamino)butanoic 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-hydroxy-3-methyl-4-(2-phenylethylcarbamoylamino)butanoic acid
CID 66002791
3-hydroxy-3-methyl-4-(3-phenylpropylcarbamoylamino)butanoic acid
CID 66001412
3-hydroxy-3-methyl-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]butanoic acid
CID 80689723
3,3-dimethyl-N-(2-pyridin-4-ylethyl)butanamide
CID 129259489
3-hydroxy-3-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]butanoic acid
CID 66002045
3-hydroxy-3-methyl-4-(3-phenylpropanoylamino)butanoic acid
CID 66001727
3-methyl-4-(2-pyridin-4-ylethylcarbamoylamino)butanoic acid
CID 81069402
2-[2-(2-pyridin-4-ylethylcarbamoylamino)ethoxy]acetic acid
CID 79464389
2-bromo-2-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 82110489
4-[3-(4-ethylphenyl)propanoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66002697
2-hydroxy-2-methyl-3-(pyridin-4-ylmethylcarbamoylamino)propanoic acid
CID 66172431
(2S)-2-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid
CID 78967885

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methyl-4-(2-pyridin-4-ylethylcarbamoylamino)butanoic acid?
The IUPAC name of 3-hydroxy-3-methyl-4-(2-pyridin-4-ylethylcarbamoylamino)butanoic acid (CID 66001214) is 3-hydroxy-3-methyl-4-(2-pyridin-4-ylethylcarbamoylamino)butanoic acid.
What is the SMILES notation for 3-hydroxy-3-methyl-4-(2-pyridin-4-ylethylcarbamoylamino)butanoic acid?
The canonical SMILES for 3-hydroxy-3-methyl-4-(2-pyridin-4-ylethylcarbamoylamino)butanoic acid is CC(O)(CNC(=O)NCCc1ccncc1)CC(=O)O.
What is the InChIKey of 3-hydroxy-3-methyl-4-(2-pyridin-4-ylethylcarbamoylamino)butanoic acid?
The InChIKey is GLUHXHFRHCBEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-13(20,8-11(17)18)9-16-12(19)15-7-4-10-2-5-14-6-3-10/h2-3,5-6,20H,4,7-9H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 3-hydroxy-3-methyl-4-(2-pyridin-4-ylethylcarbamoylamino)butanoic acid?
3-hydroxy-3-methyl-4-(2-pyridin-4-ylethylcarbamoylamino)butanoic acid has a molecular weight of 281.31 g/mol, XLogP of 0.15, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methyl-4-(2-pyridin-4-ylethylcarbamoylamino)butanoic acid is sourced from PubChem (CID 66001214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).