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

C10H21NO4 — CID 104644120

IUPAC2-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methylpropanoic acid
SMILESCC(C)CC(CO)NCC(C)(O)C(=O)O
InChIInChI=1S/C10H21NO4/c1-7(2)4-8(5-12)11-6-10(3,15)9(13)14/h7-8,11-12,15H,4-6H2,1-3H3,(H,13,14)
InChIKeyPWSVWONGDQBPHI-UHFFFAOYSA-N
MW219.28 g/mol
LogP-0.18
Rot. Bonds7

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

2-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methylpropanoic acid (PubChem CID 104644120) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methylpropanoic acid
PubChem CID104644120
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name2-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methylpropanoic acid
SMILESCC(C)CC(CO)NCC(C)(O)C(=O)O
InChIInChI=1S/C10H21NO4/c1-7(2)4-8(5-12)11-6-10(3,15)9(13)14/h7-8,11-12,15H,4-6H2,1-3H3,(H,13,14)
InChIKeyPWSVWONGDQBPHI-UHFFFAOYSA-N
XLogP-0.18
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-0.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-3-[(1-hydroxy-4-methylpentan-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-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid
CID 104644711
4-methyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 61045848
2-amino-6-borono-2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]hexanoic acid;dihydrochloride
CID 87173214
2-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid
CID 104644167
2-hydroxy-2-methyl-3-(4-methylhexan-2-ylamino)propanoic acid
CID 104644649
2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 54961686
2-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid
CID 104644611
2-ethyl-2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]butan-1-ol
CID 81418924
2-hydroxy-2-methyl-3-(4-methylpentan-2-ylcarbamoylamino)propanoic acid
CID 66176778
2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid
CID 104643638
2-(butylamino)-4-methylpentan-1-ol
CID 61246841
2-hydroxy-2-methyl-3-(3-methylbutanoylamino)propanoic acid
CID 66172744

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methylpropanoic acid (CID 104644120) is 2-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methylpropanoic acid is CC(C)CC(CO)NCC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methylpropanoic acid?
The InChIKey is PWSVWONGDQBPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-7(2)4-8(5-12)11-6-10(3,15)9(13)14/h7-8,11-12,15H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 2-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methylpropanoic acid?
2-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methylpropanoic acid has a molecular weight of 219.28 g/mol, XLogP of -0.18, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 104644120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).