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

C9H12N2O5 — CID 107822436

IUPAC(2S)-4-hydroxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
SMILESCc1cc(C(=O)N[C@@H](CCO)C(=O)O)no1
InChIInChI=1S/C9H12N2O5/c1-5-4-7(11-16-5)8(13)10-6(2-3-12)9(14)15/h4,6,12H,2-3H2,1H3,(H,10,13)(H,14,15)/t6-/m0/s1
InChIKeyWJASVJAAWLXTOG-LURJTMIESA-N
MW228.20 g/mol
LogP-0.45
Rot. Bonds5

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

(2S)-4-hydroxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid (PubChem CID 107822436) has the molecular formula C9H12N2O5 and a molecular weight of 228.20 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
PubChem CID107822436
Molecular FormulaC9H12N2O5
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC Name(2S)-4-hydroxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
SMILESCc1cc(C(=O)N[C@@H](CCO)C(=O)O)no1
InChIInChI=1S/C9H12N2O5/c1-5-4-7(11-16-5)8(13)10-6(2-3-12)9(14)15/h4,6,12H,2-3H2,1H3,(H,10,13)(H,14,15)/t6-/m0/s1
InChIKeyWJASVJAAWLXTOG-LURJTMIESA-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

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Related Compounds

(2S)-5-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid
CID 162739246
(2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanedioic acid
CID 112732912
2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]non-8-enoic acid
CID 67296662
(E)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hex-4-enoic acid
CID 120692636
4-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 61242547
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-hydroxybutanoic acid
CID 61243121
(2R)-4-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]butanoic acid
CID 107827226
3-(4-hydroxyphenyl)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 43209778
2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-hydroxybutanoic acid
CID 61242942
(2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-4-hydroxybutanoic acid
CID 107823373
(2R)-3,3-dimethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 93054926
(2R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-4-hydroxybutanoic acid
CID 107823484

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid (CID 107822436) is (2S)-4-hydroxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid is Cc1cc(C(=O)N[C@@H](CCO)C(=O)O)no1.
What is the InChIKey of (2S)-4-hydroxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid?
The InChIKey is WJASVJAAWLXTOG-LURJTMIESA-N. The full InChI is InChI=1S/C9H12N2O5/c1-5-4-7(11-16-5)8(13)10-6(2-3-12)9(14)15/h4,6,12H,2-3H2,1H3,(H,10,13)(H,14,15)/t6-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid?
(2S)-4-hydroxy-2-[(5-methyl-1,2-oxazole-3-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 (2S)-4-hydroxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 107822436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).