2-amino-3-hydroxy-2-methylbut-3-enoic acid

C5H9NO3 — CID 155265357

IUPAC2-amino-3-hydroxy-2-methylbut-3-enoic acid
SMILESC=C(O)C(C)(N)C(=O)O
InChIInChI=1S/C5H9NO3/c1-3(7)5(2,6)4(8)9/h7H,1,6H2,2H3,(H,8,9)
InChIKeyFSGRRQNLMKMVFD-UHFFFAOYSA-N
MW131.13 g/mol
LogP-0.14
Rot. Bonds2

About 2-amino-3-hydroxy-2-methylbut-3-enoic acid

2-amino-3-hydroxy-2-methylbut-3-enoic acid (PubChem CID 155265357) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is 2-amino-3-hydroxy-2-methylbut-3-enoic acid.

Molecular Properties

Compound Name2-amino-3-hydroxy-2-methylbut-3-enoic acid
PubChem CID155265357
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name2-amino-3-hydroxy-2-methylbut-3-enoic acid
SMILESC=C(O)C(C)(N)C(=O)O
InChIInChI=1S/C5H9NO3/c1-3(7)5(2,6)4(8)9/h7H,1,6H2,2H3,(H,8,9)
InChIKeyFSGRRQNLMKMVFD-UHFFFAOYSA-N
XLogP-0.14
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2-amino-3-hydroxy-2-methylbut-3-enoic 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-amino-2-sulfanylpropanoic acid
CID 22715625
2,2-dimethylpropanedioic acid;hydrochloride
CID 87713726
2,2-dimethylpropanedioic acid;silver
CID 174269885
3,3,3-triamino-2,2-dimethylpropanoic acid
CID 87392414
2,2-dimethylpropanoic acid
CID 87781698
2-methylpropan-2-amine;2,2,2-trifluoroacetic acid;hydroiodide
CID 173177783
2-amino-2,3,3-trimethylbutanoic acid;dihydrochloride
CID 140576476
3-amino-2,2-dimethyl-3-(2-methylprop-2-enoyloxy)butanoic acid
CID 87528916
(2S)-2-amino-2-methylbutanoic acid
CID 6971276
(2R)-2-amino-2-(dimethylamino)propanoic acid
CID 91435944
3-bromo-2,2-dimethylbut-3-enoic acid
CID 15085715
2-amino-2-methylbut-3-ene-1,3-diol
CID 167089230

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-2-methylbut-3-enoic acid?
The IUPAC name of 2-amino-3-hydroxy-2-methylbut-3-enoic acid (CID 155265357) is 2-amino-3-hydroxy-2-methylbut-3-enoic acid.
What is the SMILES notation for 2-amino-3-hydroxy-2-methylbut-3-enoic acid?
The canonical SMILES for 2-amino-3-hydroxy-2-methylbut-3-enoic acid is C=C(O)C(C)(N)C(=O)O.
What is the InChIKey of 2-amino-3-hydroxy-2-methylbut-3-enoic acid?
The InChIKey is FSGRRQNLMKMVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-3(7)5(2,6)4(8)9/h7H,1,6H2,2H3,(H,8,9).
What are the key properties of 2-amino-3-hydroxy-2-methylbut-3-enoic acid?
2-amino-3-hydroxy-2-methylbut-3-enoic acid has a molecular weight of 131.13 g/mol, XLogP of -0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-2-methylbut-3-enoic acid is sourced from PubChem (CID 155265357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).