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

C9H12N2O5 — CID 43209737

IUPAC3-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
SMILESCc1cc(C(=O)NC(C(=O)O)C(C)O)on1
InChIInChI=1S/C9H12N2O5/c1-4-3-6(16-11-4)8(13)10-7(5(2)12)9(14)15/h3,5,7,12H,1-2H3,(H,10,13)(H,14,15)
InChIKeyUOMZVCJAIUTAKI-UHFFFAOYSA-N
MW228.20 g/mol
LogP-0.45
Rot. Bonds4

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

3-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid (PubChem CID 43209737) has the molecular formula C9H12N2O5 and a molecular weight of 228.20 g/mol. Its IUPAC name is 3-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
PubChem CID43209737
Molecular FormulaC9H12N2O5
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC Name3-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
SMILESCc1cc(C(=O)NC(C(=O)O)C(C)O)on1
InChIInChI=1S/C9H12N2O5/c1-4-3-6(16-11-4)8(13)10-7(5(2)12)9(14)15/h3,5,7,12H,1-2H3,(H,10,13)(H,14,15)
InChIKeyUOMZVCJAIUTAKI-UHFFFAOYSA-N
XLogP-0.45
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
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

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Related Compounds

3-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 43209831
(2R)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 28777806
3-hydroxy-2-[(5-methoxycarbonyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 155969876
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 77039167
N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 94114367
4-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 61242547
N-(1,3-dihydroxypropan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 65314948
N-(4-chlorobutan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 83188576
N-(1-iodo-3-methylbutan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 107859861
N-[(1R)-1-(2-bromophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 51857396
3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,2-oxazole-5-carboxamide
CID 51257536
(2S,3R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-hydroxybutanoic acid
CID 104964855

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid?
The IUPAC name of 3-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid (CID 43209737) is 3-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid is Cc1cc(C(=O)NC(C(=O)O)C(C)O)on1.
What is the InChIKey of 3-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid?
The InChIKey is UOMZVCJAIUTAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O5/c1-4-3-6(16-11-4)8(13)10-7(5(2)12)9(14)15/h3,5,7,12H,1-2H3,(H,10,13)(H,14,15).
What are the key properties of 3-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid?
3-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, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43209737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).