2-oxo-3,3a,4,6,7,7a-hexahydro-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid

C7H10N2O4 — CID 67130274

IUPAC2-oxo-3,3a,4,6,7,7a-hexahydro-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid
SMILESO=C1NC2CN(C(=O)O)CCC2O1
InChIInChI=1S/C7H10N2O4/c10-6-8-4-3-9(7(11)12)2-1-5(4)13-6/h4-5H,1-3H2,(H,8,10)(H,11,12)
InChIKeyNMBBVIRRRNUTAT-UHFFFAOYSA-N
MW186.17 g/mol
LogP-0.15
Rot. Bonds

About 2-oxo-3,3a,4,6,7,7a-hexahydro-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid

2-oxo-3,3a,4,6,7,7a-hexahydro-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid (PubChem CID 67130274) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is 2-oxo-3,3a,4,6,7,7a-hexahydro-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-oxo-3,3a,4,6,7,7a-hexahydro-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid
PubChem CID67130274
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Name2-oxo-3,3a,4,6,7,7a-hexahydro-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid
SMILESO=C1NC2CN(C(=O)O)CCC2O1
InChIInChI=1S/C7H10N2O4/c10-6-8-4-3-9(7(11)12)2-1-5(4)13-6/h4-5H,1-3H2,(H,8,10)(H,11,12)
InChIKeyNMBBVIRRRNUTAT-UHFFFAOYSA-N
XLogP-0.15
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-oxo-3,3a,4,6,7,7a-hexahydro-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

(S)-Tetrahydro-1H-oxazolo[3,4-a]pyrazin-3(5H)-one
CID 23655052
Tetrahydro-1H-oxazolo[3,4-a]pyrazin-3(5H)-one
CID 22562207
(R)-Tetrahydro-1H-oxazolo[3,4-a]pyrazin-3(5H)-one
CID 27282253
7,7-difluoro-2-oxo-3a,4,6,7a-tetrahydro-3H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid
CID 156201385
(3aS,7aS)-7,7-difluoro-2-oxo-3a,4,6,7a-tetrahydro-3H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid
CID 156246239
(3aS,7aR)-3a,4,5,6,7,7a-hexahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-one
CID 118555788
ethyl (3aS,7aR)-2-oxo-1,3a,4,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridine-5-carboxylate
CID 10954894
(3aR,7S)-7-methyl-3a,4,5,6,7,7a-hexahydro-3H-[1,3]oxazolo[4,5-c]pyridin-2-one
CID 59226587
(3aR,7R)-7-methyl-3a,4,5,6,7,7a-hexahydro-3H-[1,3]oxazolo[4,5-c]pyridin-2-one
CID 59226588
Tert-butyl 2-oxo-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[4,5-c]pyridine-3-carboxylate
CID 67130181
(3aR,7R,7aS)-7-methylhexahydrooxazolo[4,5-c]pyridin-2(3H)-one
CID 67130785
(3aR,7S,7aR)-7-methylhexahydrooxazolo[4,5-c]pyridin-2(3H)-one
CID 67130930

Frequently Asked Questions

What is the IUPAC name of 2-oxo-3,3a,4,6,7,7a-hexahydro-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid?
The IUPAC name of 2-oxo-3,3a,4,6,7,7a-hexahydro-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid (CID 67130274) is 2-oxo-3,3a,4,6,7,7a-hexahydro-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-oxo-3,3a,4,6,7,7a-hexahydro-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid?
The canonical SMILES for 2-oxo-3,3a,4,6,7,7a-hexahydro-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid is O=C1NC2CN(C(=O)O)CCC2O1.
What is the InChIKey of 2-oxo-3,3a,4,6,7,7a-hexahydro-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid?
The InChIKey is NMBBVIRRRNUTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4/c10-6-8-4-3-9(7(11)12)2-1-5(4)13-6/h4-5H,1-3H2,(H,8,10)(H,11,12).
What are the key properties of 2-oxo-3,3a,4,6,7,7a-hexahydro-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid?
2-oxo-3,3a,4,6,7,7a-hexahydro-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid has a molecular weight of 186.17 g/mol, XLogP of -0.15, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3,3a,4,6,7,7a-hexahydro-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 67130274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).