4-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid

C9H12N2O5 — CID 61242547

IUPAC4-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
SMILESCc1cc(C(=O)NC(CCO)C(=O)O)on1
InChIInChI=1S/C9H12N2O5/c1-5-4-7(16-11-5)8(13)10-6(2-3-12)9(14)15/h4,6,12H,2-3H2,1H3,(H,10,13)(H,14,15)
InChIKeyCFNYFYQPYMPESH-UHFFFAOYSA-N
MW228.20 g/mol
LogP-0.45
Rot. Bonds5

About 4-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid

4-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid (PubChem CID 61242547) has the molecular formula C9H12N2O5 and a molecular weight of 228.20 g/mol. Its IUPAC name is 4-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
PubChem CID61242547
Molecular FormulaC9H12N2O5
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC Name4-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
SMILESCc1cc(C(=O)NC(CCO)C(=O)O)on1
InChIInChI=1S/C9H12N2O5/c1-5-4-7(16-11-5)8(13)10-6(2-3-12)9(14)15/h4,6,12H,2-3H2,1H3,(H,10,13)(H,14,15)
InChIKeyCFNYFYQPYMPESH-UHFFFAOYSA-N
XLogP-0.45
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic 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

(2R)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 28777806
(2S)-4-hydroxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 107822436
N-(1,3-dihydroxypropan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 65314948
N-(1-amino-1-hydroxyiminopentan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 76930016
(2R)-3-(1H-imidazol-5-yl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 28777479
3-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 43209737
N-(4-chlorobutan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 83188576
N-[(2S)-1-hydroxybutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 104981056
3-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 43209831
(2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-hydroxybutanoic acid
CID 107822981
(2R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-4-hydroxybutanoic acid
CID 107823484
3-(6-fluoro-1H-indol-3-yl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 86782582

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid?
The IUPAC name of 4-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid (CID 61242547) is 4-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid is Cc1cc(C(=O)NC(CCO)C(=O)O)on1.
What is the InChIKey of 4-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid?
The InChIKey is CFNYFYQPYMPESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O5/c1-5-4-7(16-11-5)8(13)10-6(2-3-12)9(14)15/h4,6,12H,2-3H2,1H3,(H,10,13)(H,14,15).
What are the key properties of 4-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid?
4-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid has a molecular weight of 228.20 g/mol, XLogP of -0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid is sourced from PubChem (CID 61242547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).