3-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,2-dimethylpropanoic acid

C11H23NO3 — CID 106349473

IUPAC3-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,2-dimethylpropanoic acid
SMILESCC(C)C(CCO)NCC(C)(C)C(=O)O
InChIInChI=1S/C11H23NO3/c1-8(2)9(5-6-13)12-7-11(3,4)10(14)15/h8-9,12-13H,5-7H2,1-4H3,(H,14,15)
InChIKeyNKOPRVFYXOJVOX-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.09
Rot. Bonds7

About 3-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,2-dimethylpropanoic acid

3-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,2-dimethylpropanoic acid (PubChem CID 106349473) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,2-dimethylpropanoic acid
PubChem CID106349473
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name3-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,2-dimethylpropanoic acid
SMILESCC(C)C(CCO)NCC(C)(C)C(=O)O
InChIInChI=1S/C11H23NO3/c1-8(2)9(5-6-13)12-7-11(3,4)10(14)15/h8-9,12-13H,5-7H2,1-4H3,(H,14,15)
InChIKeyNKOPRVFYXOJVOX-UHFFFAOYSA-N
XLogP1.09
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,2-dimethylpropanoic 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

3,3,3-Trifluoro-2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]propanoic acid
CID 103243054
3,3,3-Trifluoro-2-[[(4-hydroxy-3-methylbutan-2-yl)amino]methyl]propanoic acid
CID 103265815
3,3,3-Trifluoro-2-[(1-hydroxypentan-3-ylamino)methyl]propanoic acid
CID 103267739
3,3,3-Trifluoro-2-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]propanoic acid
CID 106350933
3,3,3-Trifluoro-2-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]propanoic acid
CID 106350987
3-(4-Methylpentan-2-ylamino)propanoic acid
CID 43139921
3-(1-Hydroxybutan-2-ylamino)-2-methylpropanoic acid
CID 43538677
2-Methyl-3-(oxan-4-ylamino)propanoic acid
CID 43610075
4-Methyl-3-(propan-2-ylamino)pentanoic acid
CID 57696916
2,4-Dimethyl-3-(methylamino)pentanoic acid
CID 58289069
Methyl 3-[(1-hydroxy-4-methylpentan-2-yl)amino]propanoate
CID 61246588
4,4-Dimethyl-3-(methylamino)pentanoic acid
CID 65236828

Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,2-dimethylpropanoic acid (CID 106349473) is 3-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,2-dimethylpropanoic acid is CC(C)C(CCO)NCC(C)(C)C(=O)O.
What is the InChIKey of 3-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,2-dimethylpropanoic acid?
The InChIKey is NKOPRVFYXOJVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-8(2)9(5-6-13)12-7-11(3,4)10(14)15/h8-9,12-13H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 3-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,2-dimethylpropanoic acid?
3-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,2-dimethylpropanoic acid has a molecular weight of 217.31 g/mol, XLogP of 1.09, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 106349473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).