3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylic acid

C14H19N3O4 — CID 155124033

IUPAC3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylic acid
SMILESCC1Cc2noc(N3CCC(C)(C)C3=O)c2CN1C(=O)O
InChIInChI=1S/C14H19N3O4/c1-8-6-10-9(7-17(8)13(19)20)11(21-15-10)16-5-4-14(2,3)12(16)18/h8H,4-7H2,1-3H3,(H,19,20)
InChIKeyQMXRCANNYZCWDP-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.86
Rot. Bonds1

About 3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylic acid

3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylic acid (PubChem CID 155124033) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylic acid
PubChem CID155124033
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylic acid
SMILESCC1Cc2noc(N3CCC(C)(C)C3=O)c2CN1C(=O)O
InChIInChI=1S/C14H19N3O4/c1-8-6-10-9(7-17(8)13(19)20)11(21-15-10)16-5-4-14(2,3)12(16)18/h8H,4-7H2,1-3H3,(H,19,20)
InChIKeyQMXRCANNYZCWDP-UHFFFAOYSA-N
XLogP1.86
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-3-(5-chloropentanoylamino)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylic acid
CID 155123944
6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylic acid
CID 155123943
(5R)-5-ethyl-3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl]-1,3-oxazolidin-2-one
CID 160783529
14,14-difluoro-5-methyl-11-methylidene-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxylic acid
CID 155341374
3-(hydroxymethyl)-6-methyl-2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid
CID 155343412
(5R)-14,14-difluoro-11-hydroxy-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxylic acid
CID 175206477
(6R)-2-but-3-ynyl-6-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid
CID 155343445
tert-butyl (6S)-6-methyl-3-pyrimidin-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylate
CID 155131416
3-(1-hydroxybut-3-enyl)-6-methyl-2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid
CID 155343453
(7R)-3-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid
CID 137366558
(6R)-3-(3-ethoxy-3-oxopropanoyl)-6-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-2,5-dicarboxylic acid
CID 155343820
1-acetyl-3,3-dimethylpyrrolidin-2-one
CID 175236752

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylic acid?
The IUPAC name of 3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylic acid (CID 155124033) is 3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylic acid?
The canonical SMILES for 3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylic acid is CC1Cc2noc(N3CCC(C)(C)C3=O)c2CN1C(=O)O.
What is the InChIKey of 3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylic acid?
The InChIKey is QMXRCANNYZCWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-8-6-10-9(7-17(8)13(19)20)11(21-15-10)16-5-4-14(2,3)12(16)18/h8H,4-7H2,1-3H3,(H,19,20).
What are the key properties of 3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylic acid?
3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 155124033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).