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

C9H12N2O5 — CID 118608164

IUPAC(2S,3R)-3-hydroxy-2-[(4-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
SMILESCc1conc1C(=O)N[C@H](C(=O)O)[C@@H](C)O
InChIInChI=1S/C9H12N2O5/c1-4-3-16-11-6(4)8(13)10-7(5(2)12)9(14)15/h3,5,7,12H,1-2H3,(H,10,13)(H,14,15)/t5-,7+/m1/s1
InChIKeyNDLBILFSVOFWOS-VDTYLAMSSA-N
MW228.20 g/mol
LogP-0.45
Rot. Bonds4

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

(2S,3R)-3-hydroxy-2-[(4-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid (PubChem CID 118608164) has the molecular formula C9H12N2O5 and a molecular weight of 228.20 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-[(4-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-[(4-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
PubChem CID118608164
Molecular FormulaC9H12N2O5
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC Name(2S,3R)-3-hydroxy-2-[(4-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
SMILESCc1conc1C(=O)N[C@H](C(=O)O)[C@@H](C)O
InChIInChI=1S/C9H12N2O5/c1-4-3-16-11-6(4)8(13)10-7(5(2)12)9(14)15/h3,5,7,12H,1-2H3,(H,10,13)(H,14,15)/t5-,7+/m1/s1
InChIKeyNDLBILFSVOFWOS-VDTYLAMSSA-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

Analyze (2S,3R)-3-hydroxy-2-[(4-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid with MolForge

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Related Compounds

(2S,3R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
CID 94402027
3-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 43209737
(2S,3R)-2-[(2,6-difluoro-3-methylbenzoyl)amino]-3-hydroxybutanoic acid
CID 104965038
4-methyl-N-(2-oxoethyl)-1,2-oxazole-3-carboxamide
CID 178028461
3-hydroxy-2-[(5-methoxycarbonyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 155969876
3-hydroxy-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid
CID 16784411
(2S,3R)-2-[(3-amino-4-methylbenzoyl)amino]-3-hydroxybutanoic acid
CID 104965391
(2S,3R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-hydroxybutanoic acid
CID 104964855
3-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 43238782
(2S,3R)-2-[[3-[[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl]benzoyl]amino]-3-hydroxybutanoic acid
CID 40571808
3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103116350
3-methyl-2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]butanoic acid
CID 119348465

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-[(4-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid?
The IUPAC name of (2S,3R)-3-hydroxy-2-[(4-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid (CID 118608164) is (2S,3R)-3-hydroxy-2-[(4-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-[(4-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid?
The canonical SMILES for (2S,3R)-3-hydroxy-2-[(4-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid is Cc1conc1C(=O)N[C@H](C(=O)O)[C@@H](C)O.
What is the InChIKey of (2S,3R)-3-hydroxy-2-[(4-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid?
The InChIKey is NDLBILFSVOFWOS-VDTYLAMSSA-N. The full InChI is InChI=1S/C9H12N2O5/c1-4-3-16-11-6(4)8(13)10-7(5(2)12)9(14)15/h3,5,7,12H,1-2H3,(H,10,13)(H,14,15)/t5-,7+/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-[(4-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid?
(2S,3R)-3-hydroxy-2-[(4-methyl-1,2-oxazole-3-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 (2S,3R)-3-hydroxy-2-[(4-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 118608164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).