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

C9H12N2O5 — CID 28777334

IUPAC(2S,3R)-3-hydroxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
SMILESCc1cc(C(=O)N[C@H](C(=O)O)[C@@H](C)O)no1
InChIInChI=1S/C9H12N2O5/c1-4-3-6(11-16-4)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
InChIKeyMXBZAKQTQCHBLF-VDTYLAMSSA-N
MW228.20 g/mol
LogP-0.45
Rot. Bonds4

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

(2S,3R)-3-hydroxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid (PubChem CID 28777334) has the molecular formula C9H12N2O5 and a molecular weight of 228.20 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
PubChem CID28777334
Molecular FormulaC9H12N2O5
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC Name(2S,3R)-3-hydroxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
SMILESCc1cc(C(=O)N[C@H](C(=O)O)[C@@H](C)O)no1
InChIInChI=1S/C9H12N2O5/c1-4-3-6(11-16-4)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
InChIKeyMXBZAKQTQCHBLF-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

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Related Compounds

(2s,4r)-N-Methyl-1-[2-(3-Methyl-1,2-Oxazol-5-Yl)ethanoyl]-4-Oxidanyl-Pyrrolidine-2-Carboxamide
CID 57381962
methyl N-(5-methyl-1,2-oxazole-3-carbonyl)glycinate
CID 2747412
3-methyl-N-(propan-2-yl)-1,2-oxazole-5-carboxamide
CID 3245069
5-Methyl-N-(piperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 43345754
N-(sec-butyl)-3-methylisoxazole-5-carboxamide
CID 9551511
[(1R)-3-methyl-1-[[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]acetyl]amino]butyl]boronic acid
CID 153186851
Butanoic acid, 4-(((3-methyl-5-isoxazolyl)carbonyl)amino)-
CID 189689
3-methyl-N-[(3S)-4,4,4-trifluoro-3-hydroxybutyl]-1,2-oxazole-5-carboxamide
CID 95772134
5-[(4-hydroxypiperidin-1-yl)methyl]-N,N-dipropylisoxazole-3-carboxamide
CID 56744415
5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-(3-methylbutyl)isoxazole-3-carboxamide
CID 56747395
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 110128087
N-butyl-5-methyl-1,2-oxazole-3-carboxamide
CID 5130786

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid?
The IUPAC name of (2S,3R)-3-hydroxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid (CID 28777334) is (2S,3R)-3-hydroxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid?
The canonical SMILES for (2S,3R)-3-hydroxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid is Cc1cc(C(=O)N[C@H](C(=O)O)[C@@H](C)O)no1.
What is the InChIKey of (2S,3R)-3-hydroxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid?
The InChIKey is MXBZAKQTQCHBLF-VDTYLAMSSA-N. The full InChI is InChI=1S/C9H12N2O5/c1-4-3-6(11-16-4)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-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid?
(2S,3R)-3-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, 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-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 28777334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).