(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoic acid

C9H13NO3 — CID 92845870

IUPAC(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoic acid
SMILESCc1noc(C)c1C[C@@H](C)C(=O)O
InChIInChI=1S/C9H13NO3/c1-5(9(11)12)4-8-6(2)10-13-7(8)3/h5H,4H2,1-3H3,(H,11,12)/t5-/m1/s1
InChIKeyPDYABMIUDRMKQX-RXMQYKEDSA-N
MW183.21 g/mol
LogP1.55
Rot. Bonds3

About (2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoic acid

(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoic acid (PubChem CID 92845870) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is (2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoic acid
PubChem CID92845870
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoic acid
SMILESCc1noc(C)c1C[C@@H](C)C(=O)O
InChIInChI=1S/C9H13NO3/c1-5(9(11)12)4-8-6(2)10-13-7(8)3/h5H,4H2,1-3H3,(H,11,12)/t5-/m1/s1
InChIKeyPDYABMIUDRMKQX-RXMQYKEDSA-N
XLogP1.55
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-propan-2-ylamino]-2-methylpropanoic acid
CID 82329705
(2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]propanoic acid
CID 104875222
4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-methylbutanoic acid
CID 80539351
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]propanoic acid
CID 82180799
3-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]-2-methylpropanoic acid
CID 62674245
(2R)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-4-methylpentanoic acid
CID 78975585
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(1-hydroxypropan-2-yl)urea
CID 111439093
3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-(3-phenylphenyl)propanamide
CID 154860282
3-[4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]phenyl]-2-methylpropanoic acid
CID 120541216
3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,5-dimethylphenyl)propanoic acid
CID 82140292
3-amino-1-(3,5-dimethyl-1,2-oxazol-4-yl)butan-2-one
CID 82407822
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propanamide
CID 79235982

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoic acid?
The IUPAC name of (2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoic acid (CID 92845870) is (2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoic acid.
What is the SMILES notation for (2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoic acid?
The canonical SMILES for (2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoic acid is Cc1noc(C)c1C[C@@H](C)C(=O)O.
What is the InChIKey of (2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoic acid?
The InChIKey is PDYABMIUDRMKQX-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H13NO3/c1-5(9(11)12)4-8-6(2)10-13-7(8)3/h5H,4H2,1-3H3,(H,11,12)/t5-/m1/s1.
What are the key properties of (2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoic acid?
(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoic acid has a molecular weight of 183.21 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoic acid is sourced from PubChem (CID 92845870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).