(2R)-2-acetyloxy-2-[(2R)-4-(1-cyclopropylpyrazol-3-yl)-3-oxomorpholin-2-yl]acetic acid

C14H17N3O6 — CID 118591198

IUPAC(2R)-2-acetyloxy-2-[(2R)-4-(1-cyclopropylpyrazol-3-yl)-3-oxomorpholin-2-yl]acetic acid
SMILESCC(=O)O[C@@H](C(=O)O)[C@H]1OCCN(c2ccn(C3CC3)n2)C1=O
InChIInChI=1S/C14H17N3O6/c1-8(18)23-12(14(20)21)11-13(19)16(6-7-22-11)10-4-5-17(15-10)9-2-3-9/h4-5,9,11-12H,2-3,6-7H2,1H3,(H,20,21)/t11-,12-/m1/s1
InChIKeyOMOTVDQAUMZNAG-VXGBXAGGSA-N
MW323.31 g/mol
LogP-0.03
Rot. Bonds5

About (2R)-2-acetyloxy-2-[(2R)-4-(1-cyclopropylpyrazol-3-yl)-3-oxomorpholin-2-yl]acetic acid

(2R)-2-acetyloxy-2-[(2R)-4-(1-cyclopropylpyrazol-3-yl)-3-oxomorpholin-2-yl]acetic acid (PubChem CID 118591198) has the molecular formula C14H17N3O6 and a molecular weight of 323.31 g/mol. Its IUPAC name is (2R)-2-acetyloxy-2-[(2R)-4-(1-cyclopropylpyrazol-3-yl)-3-oxomorpholin-2-yl]acetic acid.

Molecular Properties

Compound Name(2R)-2-acetyloxy-2-[(2R)-4-(1-cyclopropylpyrazol-3-yl)-3-oxomorpholin-2-yl]acetic acid
PubChem CID118591198
Molecular FormulaC14H17N3O6
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC Name(2R)-2-acetyloxy-2-[(2R)-4-(1-cyclopropylpyrazol-3-yl)-3-oxomorpholin-2-yl]acetic acid
SMILESCC(=O)O[C@@H](C(=O)O)[C@H]1OCCN(c2ccn(C3CC3)n2)C1=O
InChIInChI=1S/C14H17N3O6/c1-8(18)23-12(14(20)21)11-13(19)16(6-7-22-11)10-4-5-17(15-10)9-2-3-9/h4-5,9,11-12H,2-3,6-7H2,1H3,(H,20,21)/t11-,12-/m1/s1
InChIKeyOMOTVDQAUMZNAG-VXGBXAGGSA-N
XLogP-0.03
TPSA110.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-2-acetyloxy-2-[(2R)-4-(1-cyclopropylpyrazol-3-yl)-3-oxomorpholin-2-yl]acetic acid with MolForge

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Related Compounds

(2R)-2-acetyloxy-2-[4-[1-(2-methoxy-4-pyridinyl)pyrazol-3-yl]-3-oxomorpholin-2-yl]acetic acid;hydrochloride
CID 118591161
(2R)-2-acetyloxy-2-[4-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxomorpholin-2-yl]acetic acid;hydrochloride
CID 130442718
2-acetyloxy-2-[3-oxo-4-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholin-2-yl]acetic acid
CID 76717395
(2R)-2-acetyloxy-2-[(2R)-4-[6-(1-acetyloxy-2,2,2-trifluoroethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]acetic acid
CID 118591252
(2R)-2-acetyloxy-2-[3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetic acid
CID 67223125
(2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[2-(2-oxopiperidin-1-yl)phenyl]morpholin-2-yl]acetic acid
CID 67032866
(2R)-2-acetyloxy-2-[3-oxo-4-[3-(trifluoromethoxy)phenyl]morpholin-2-yl]acetic acid
CID 67221715
(2R)-2-acetyloxy-2-[(2R)-4-[2-(difluoromethoxy)-3-methoxycarbonylphenyl]-3-oxomorpholin-2-yl]acetic acid
CID 67033718
(2R)-2-acetyloxy-2-[(2R)-4-[3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]phenyl]-3-oxomorpholin-2-yl]acetic acid
CID 58290632
[(1R)-2-(2-aminoanilino)-1-[(2R)-4-methylidenealumanyl-3-oxomorpholin-2-yl]-2-oxoethyl] acetate
CID 144651587
2-acetyloxy-2-[(2R,6S)-6-methyl-3-oxo-4-[1-[6-(trifluoromethyl)pyridazin-4-yl]pyrazol-3-yl]morpholin-2-yl]acetic acid
CID 118511834
tert-butyl 2-acetyloxy-2-[(2R)-4-[3,5-bis(trifluoromethyl)phenyl]-3-oxomorpholin-2-yl]acetate
CID 87243623

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetyloxy-2-[(2R)-4-(1-cyclopropylpyrazol-3-yl)-3-oxomorpholin-2-yl]acetic acid?
The IUPAC name of (2R)-2-acetyloxy-2-[(2R)-4-(1-cyclopropylpyrazol-3-yl)-3-oxomorpholin-2-yl]acetic acid (CID 118591198) is (2R)-2-acetyloxy-2-[(2R)-4-(1-cyclopropylpyrazol-3-yl)-3-oxomorpholin-2-yl]acetic acid.
What is the SMILES notation for (2R)-2-acetyloxy-2-[(2R)-4-(1-cyclopropylpyrazol-3-yl)-3-oxomorpholin-2-yl]acetic acid?
The canonical SMILES for (2R)-2-acetyloxy-2-[(2R)-4-(1-cyclopropylpyrazol-3-yl)-3-oxomorpholin-2-yl]acetic acid is CC(=O)O[C@@H](C(=O)O)[C@H]1OCCN(c2ccn(C3CC3)n2)C1=O.
What is the InChIKey of (2R)-2-acetyloxy-2-[(2R)-4-(1-cyclopropylpyrazol-3-yl)-3-oxomorpholin-2-yl]acetic acid?
The InChIKey is OMOTVDQAUMZNAG-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H17N3O6/c1-8(18)23-12(14(20)21)11-13(19)16(6-7-22-11)10-4-5-17(15-10)9-2-3-9/h4-5,9,11-12H,2-3,6-7H2,1H3,(H,20,21)/t11-,12-/m1/s1.
What are the key properties of (2R)-2-acetyloxy-2-[(2R)-4-(1-cyclopropylpyrazol-3-yl)-3-oxomorpholin-2-yl]acetic acid?
(2R)-2-acetyloxy-2-[(2R)-4-(1-cyclopropylpyrazol-3-yl)-3-oxomorpholin-2-yl]acetic acid has a molecular weight of 323.31 g/mol, XLogP of -0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetyloxy-2-[(2R)-4-(1-cyclopropylpyrazol-3-yl)-3-oxomorpholin-2-yl]acetic acid is sourced from PubChem (CID 118591198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).