(2R)-4-[3-[(2S)-butan-2-yl]-1,2-oxazole-5-carbonyl]morpholine-2-carboxylic acid

C13H18N2O5 — CID 129414739

IUPAC(2R)-4-[3-[(2S)-butan-2-yl]-1,2-oxazole-5-carbonyl]morpholine-2-carboxylic acid
SMILESCC[C@H](C)c1cc(C(=O)N2CCO[C@@H](C(=O)O)C2)on1
InChIInChI=1S/C13H18N2O5/c1-3-8(2)9-6-10(20-14-9)12(16)15-4-5-19-11(7-15)13(17)18/h6,8,11H,3-5,7H2,1-2H3,(H,17,18)/t8-,11+/m0/s1
InChIKeyWQERSYXZDGSBNJ-GZMMTYOYSA-N
MW282.30 g/mol
LogP1.11
Rot. Bonds4

About (2R)-4-[3-[(2S)-butan-2-yl]-1,2-oxazole-5-carbonyl]morpholine-2-carboxylic acid

(2R)-4-[3-[(2S)-butan-2-yl]-1,2-oxazole-5-carbonyl]morpholine-2-carboxylic acid (PubChem CID 129414739) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is (2R)-4-[3-[(2S)-butan-2-yl]-1,2-oxazole-5-carbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[3-[(2S)-butan-2-yl]-1,2-oxazole-5-carbonyl]morpholine-2-carboxylic acid
PubChem CID129414739
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name(2R)-4-[3-[(2S)-butan-2-yl]-1,2-oxazole-5-carbonyl]morpholine-2-carboxylic acid
SMILESCC[C@H](C)c1cc(C(=O)N2CCO[C@@H](C(=O)O)C2)on1
InChIInChI=1S/C13H18N2O5/c1-3-8(2)9-6-10(20-14-9)12(16)15-4-5-19-11(7-15)13(17)18/h6,8,11H,3-5,7H2,1-2H3,(H,17,18)/t8-,11+/m0/s1
InChIKeyWQERSYXZDGSBNJ-GZMMTYOYSA-N
XLogP1.11
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(2R)-butan-2-yl]-1,2-oxazol-5-yl]-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129332725
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]methanone
CID 124611332
[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124574903
[3-(1-aminoethyl)piperidin-1-yl]-(3-butan-2-yl-1,2-oxazol-5-yl)methanone
CID 154759823
[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95776392
2-[methyl-[[4-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)morpholin-2-yl]methyl]amino]acetic acid
CID 128974742
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-butan-2-yl-1,2-oxazol-5-yl)methanone;hydrochloride
CID 120748897
[3-[(2R)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95776563
1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid
CID 119167740
[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]methanone
CID 96542510
[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]methanone
CID 96542508
(3-butan-2-yl-1,2-oxazol-5-yl)-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 119041972

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[3-[(2S)-butan-2-yl]-1,2-oxazole-5-carbonyl]morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-[3-[(2S)-butan-2-yl]-1,2-oxazole-5-carbonyl]morpholine-2-carboxylic acid (CID 129414739) is (2R)-4-[3-[(2S)-butan-2-yl]-1,2-oxazole-5-carbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-[3-[(2S)-butan-2-yl]-1,2-oxazole-5-carbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-[3-[(2S)-butan-2-yl]-1,2-oxazole-5-carbonyl]morpholine-2-carboxylic acid is CC[C@H](C)c1cc(C(=O)N2CCO[C@@H](C(=O)O)C2)on1.
What is the InChIKey of (2R)-4-[3-[(2S)-butan-2-yl]-1,2-oxazole-5-carbonyl]morpholine-2-carboxylic acid?
The InChIKey is WQERSYXZDGSBNJ-GZMMTYOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-3-8(2)9-6-10(20-14-9)12(16)15-4-5-19-11(7-15)13(17)18/h6,8,11H,3-5,7H2,1-2H3,(H,17,18)/t8-,11+/m0/s1.
What are the key properties of (2R)-4-[3-[(2S)-butan-2-yl]-1,2-oxazole-5-carbonyl]morpholine-2-carboxylic acid?
(2R)-4-[3-[(2S)-butan-2-yl]-1,2-oxazole-5-carbonyl]morpholine-2-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[3-[(2S)-butan-2-yl]-1,2-oxazole-5-carbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 129414739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).