2-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid

C10H21NO4 — CID 104644611

IUPAC2-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid
SMILESCOCC(NCC(C)(O)C(=O)O)C(C)C
InChIInChI=1S/C10H21NO4/c1-7(2)8(5-15-4)11-6-10(3,14)9(12)13/h7-8,11,14H,5-6H2,1-4H3,(H,12,13)
InChIKeyXLBMKKPXNMIYOY-UHFFFAOYSA-N
MW219.28 g/mol
LogP0.08
Rot. Bonds7

About 2-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid

2-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid (PubChem CID 104644611) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid
PubChem CID104644611
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name2-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid
SMILESCOCC(NCC(C)(O)C(=O)O)C(C)C
InChIInChI=1S/C10H21NO4/c1-7(2)8(5-15-4)11-6-10(3,14)9(12)13/h7-8,11,14H,5-6H2,1-4H3,(H,12,13)
InChIKeyXLBMKKPXNMIYOY-UHFFFAOYSA-N
XLogP0.08
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]-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

2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid
CID 104643638
2-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid
CID 104644711
2-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid
CID 104644167
methyl 3-[(1-methoxy-3-methylbutan-2-yl)amino]-2,2-dimethylpropanoate
CID 79624902
1-(dimethylamino)-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropan-2-ol
CID 115895816
N-tert-butyl-2-[(1-methoxy-3-methylbutan-2-yl)amino]acetamide
CID 65048909
methyl 2-bromo-3-[(1-methoxy-3-methylbutan-2-yl)amino]propanoate
CID 103254031
methyl 2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoate
CID 104643639
2-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methylpropanoic acid
CID 104644120
3-hydroxy-4-[(1-methoxy-3-methylbutan-2-yl)amino]butanoic acid
CID 103254061
2-ethyl-4-[(1-methoxy-3-methylbutan-2-yl)amino]but-2-enoic acid
CID 103254042
2-[(1-methoxy-3-methylbutan-2-yl)amino]-N-(2-methylpropyl)acetamide
CID 65049142

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid (CID 104644611) is 2-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid is COCC(NCC(C)(O)C(=O)O)C(C)C.
What is the InChIKey of 2-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid?
The InChIKey is XLBMKKPXNMIYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-7(2)8(5-15-4)11-6-10(3,14)9(12)13/h7-8,11,14H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 2-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid?
2-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid has a molecular weight of 219.28 g/mol, XLogP of 0.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 104644611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).