2-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid

C9H19NO4 — CID 104644680

IUPAC2-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid
SMILESCC(CCO)CNCC(C)(O)C(=O)O
InChIInChI=1S/C9H19NO4/c1-7(3-4-11)5-10-6-9(2,14)8(12)13/h7,10-11,14H,3-6H2,1-2H3,(H,12,13)
InChIKeyYDIHFMXNYXRAHN-UHFFFAOYSA-N
MW205.25 g/mol
LogP-0.57
Rot. Bonds7

About 2-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid

2-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid (PubChem CID 104644680) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is 2-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid
PubChem CID104644680
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name2-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid
SMILESCC(CCO)CNCC(C)(O)C(=O)O
InChIInChI=1S/C9H19NO4/c1-7(3-4-11)5-10-6-9(2,14)8(12)13/h7,10-11,14H,3-6H2,1-2H3,(H,12,13)
InChIKeyYDIHFMXNYXRAHN-UHFFFAOYSA-N
XLogP-0.57
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,2-dimethylpropylamino)-3-methylbutan-1-ol
CID 66091312
2-acetamido-3-[(4-hydroxy-2-methylbutyl)amino]propanoic acid
CID 66107045
4-(3,3-dimethylbutylamino)-3-methylbutan-1-ol
CID 66092499
2-[(4-hydroxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 66091400
2-ethyl-4-[(4-hydroxy-2-methylbutyl)amino]but-2-enoic acid
CID 103256167
2-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid
CID 104644711
4-[2-(tert-butylamino)ethylamino]-3-methylbutan-1-ol
CID 107445803
methyl 2-hydroxy-2-methyl-3-(2-methylbutylamino)propanoate
CID 104644413
3-methyl-4-(2-methylpentylamino)butan-1-ol
CID 66092685
2-hydroxy-2-methyl-3-(prop-2-ynylamino)propanoic acid
CID 104643565
methyl 2-hydroxy-3-[(3-methoxy-2-methylpropyl)amino]-2-methylpropanoate
CID 104644316
2-hydroxy-3-[3-(2-hydroxyethoxy)propylamino]-2-methylpropanoic acid
CID 106305482

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid (CID 104644680) is 2-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid is CC(CCO)CNCC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid?
The InChIKey is YDIHFMXNYXRAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-7(3-4-11)5-10-6-9(2,14)8(12)13/h7,10-11,14H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid?
2-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid has a molecular weight of 205.25 g/mol, XLogP of -0.57, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 104644680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).