2-amino-2-hydroxy-3-methylbutanoic acid

C5H11NO3 — CID 5320350

IUPAC2-amino-2-hydroxy-3-methylbutanoic acid
SMILESCC(C)C(N)(O)C(=O)O
InChIInChI=1S/C5H11NO3/c1-3(2)5(6,9)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)
InChIKeyTYYYSRHHJOVPKV-UHFFFAOYSA-N
MW133.15 g/mol
LogP-0.63
Rot. Bonds2

About 2-amino-2-hydroxy-3-methylbutanoic acid

2-amino-2-hydroxy-3-methylbutanoic acid (PubChem CID 5320350) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 2-amino-2-hydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name2-amino-2-hydroxy-3-methylbutanoic acid
PubChem CID5320350
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name2-amino-2-hydroxy-3-methylbutanoic acid
SMILESCC(C)C(N)(O)C(=O)O
InChIInChI=1S/C5H11NO3/c1-3(2)5(6,9)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)
InChIKeyTYYYSRHHJOVPKV-UHFFFAOYSA-N
XLogP-0.63
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-hydroxy-3-methylbutanoic acid?
The IUPAC name of 2-amino-2-hydroxy-3-methylbutanoic acid (CID 5320350) is 2-amino-2-hydroxy-3-methylbutanoic acid.
What is the SMILES notation for 2-amino-2-hydroxy-3-methylbutanoic acid?
The canonical SMILES for 2-amino-2-hydroxy-3-methylbutanoic acid is CC(C)C(N)(O)C(=O)O.
What is the InChIKey of 2-amino-2-hydroxy-3-methylbutanoic acid?
The InChIKey is TYYYSRHHJOVPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-3(2)5(6,9)4(7)8/h3,9H,6H2,1-2H3,(H,7,8).
What are the key properties of 2-amino-2-hydroxy-3-methylbutanoic acid?
2-amino-2-hydroxy-3-methylbutanoic acid has a molecular weight of 133.15 g/mol, XLogP of -0.63, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-hydroxy-3-methylbutanoic acid is sourced from PubChem (CID 5320350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).