(3R)-4-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]morpholine-3-carboxylic acid

C13H18N2O5 — CID 125153746

IUPAC(3R)-4-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]morpholine-3-carboxylic acid
SMILESCc1noc(C)c1[C@H](C)C(=O)N1CCOC[C@@H]1C(=O)O
InChIInChI=1S/C13H18N2O5/c1-7(11-8(2)14-20-9(11)3)12(16)15-4-5-19-6-10(15)13(17)18/h7,10H,4-6H2,1-3H3,(H,17,18)/t7-,10+/m0/s1
InChIKeyWIYUDGWEZFXJFP-OIBJUYFYSA-N
MW282.30 g/mol
LogP0.71
Rot. Bonds3

About (3R)-4-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]morpholine-3-carboxylic acid

(3R)-4-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]morpholine-3-carboxylic acid (PubChem CID 125153746) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is (3R)-4-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-4-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]morpholine-3-carboxylic acid
PubChem CID125153746
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name(3R)-4-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]morpholine-3-carboxylic acid
SMILESCc1noc(C)c1[C@H](C)C(=O)N1CCOC[C@@H]1C(=O)O
InChIInChI=1S/C13H18N2O5/c1-7(11-8(2)14-20-9(11)3)12(16)15-4-5-19-6-10(15)13(17)18/h7,10H,4-6H2,1-3H3,(H,17,18)/t7-,10+/m0/s1
InChIKeyWIYUDGWEZFXJFP-OIBJUYFYSA-N
XLogP0.71
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholine-3-carboxylic acid
CID 119216253
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-methylpiperazin-1-yl]propan-1-one
CID 124570591
(2S)-1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 124694132
(3R)-1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 124690967
(3S)-4-[(2S)-2-(3-methylphenyl)propanoyl]morpholine-3-carboxylic acid
CID 125153512
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95329043
4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxylic acid
CID 106312457
4-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)morpholine-3-carboxylic acid
CID 136551289
(3S)-4-[(2R)-2-(4-methoxyphenyl)propanoyl]morpholine-3-carboxylic acid
CID 125119447
(3S)-4-[(2R)-2-(3-fluorophenyl)propanoyl]morpholine-3-carboxylic acid
CID 125154094
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 95296695
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 95735841

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]morpholine-3-carboxylic acid?
The IUPAC name of (3R)-4-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]morpholine-3-carboxylic acid (CID 125153746) is (3R)-4-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3R)-4-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3R)-4-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]morpholine-3-carboxylic acid is Cc1noc(C)c1[C@H](C)C(=O)N1CCOC[C@@H]1C(=O)O.
What is the InChIKey of (3R)-4-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]morpholine-3-carboxylic acid?
The InChIKey is WIYUDGWEZFXJFP-OIBJUYFYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-7(11-8(2)14-20-9(11)3)12(16)15-4-5-19-6-10(15)13(17)18/h7,10H,4-6H2,1-3H3,(H,17,18)/t7-,10+/m0/s1.
What are the key properties of (3R)-4-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]morpholine-3-carboxylic acid?
(3R)-4-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]morpholine-3-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 125153746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).