(1R,4R)-4-formyl-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid

C7H9NO4 — CID 174190714

IUPAC(1R,4R)-4-formyl-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid
SMILESO=C[C@@]12CO[C@@H](CN1C(=O)O)C2
InChIInChI=1S/C7H9NO4/c9-3-7-1-5(12-4-7)2-8(7)6(10)11/h3,5H,1-2,4H2,(H,10,11)/t5-,7+/m1/s1
InChIKeyLYKVAHNNUSUKNT-VDTYLAMSSA-N
MW171.15 g/mol
LogP-0.29
Rot. Bonds1

About (1R,4R)-4-formyl-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid

(1R,4R)-4-formyl-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid (PubChem CID 174190714) has the molecular formula C7H9NO4 and a molecular weight of 171.15 g/mol. Its IUPAC name is (1R,4R)-4-formyl-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid.

Molecular Properties

Compound Name(1R,4R)-4-formyl-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid
PubChem CID174190714
Molecular FormulaC7H9NO4
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Name(1R,4R)-4-formyl-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid
SMILESO=C[C@@]12CO[C@@H](CN1C(=O)O)C2
InChIInChI=1S/C7H9NO4/c9-3-7-1-5(12-4-7)2-8(7)6(10)11/h3,5H,1-2,4H2,(H,10,11)/t5-,7+/m1/s1
InChIKeyLYKVAHNNUSUKNT-VDTYLAMSSA-N
XLogP-0.29
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze (1R,4R)-4-formyl-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(hydroxymethyl)-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 118384399
(2R,8S)-2-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carbaldehyde
CID 170904654
(2S)-2-formylpyrrolidine-1,2-dicarboxylic acid
CID 166692014
1-tert-butyl-2-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 70203947
(2S)-2-formyl-2-methylpyrrolidine-1-carboxylic acid
CID 87642357
2-oxabicyclo[2.1.1]hexane-4-carbaldehyde
CID 138111923
5-O-tert-butyl 4-O-methyl (1S)-2-oxa-5-azabicyclo[2.2.1]heptane-4,5-dicarboxylate
CID 155905506
1-tert-butyl-5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 174225723
(4S)-4-fluoro-2-(2-oxoethyl)pyrrolidine-1,2-dicarboxylic acid
CID 91287750
1-amino-2-azabicyclo[2.2.2]octane-2-carboxylic acid
CID 151428234
2-oxaspiro[4.5]decane-3-carboxylic acid
CID 154578314
(3aR,6aS)-spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,2'-oxirane]-2-carboxylic acid
CID 118292011

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-4-formyl-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid?
The IUPAC name of (1R,4R)-4-formyl-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid (CID 174190714) is (1R,4R)-4-formyl-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid.
What is the SMILES notation for (1R,4R)-4-formyl-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid?
The canonical SMILES for (1R,4R)-4-formyl-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid is O=C[C@@]12CO[C@@H](CN1C(=O)O)C2.
What is the InChIKey of (1R,4R)-4-formyl-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid?
The InChIKey is LYKVAHNNUSUKNT-VDTYLAMSSA-N. The full InChI is InChI=1S/C7H9NO4/c9-3-7-1-5(12-4-7)2-8(7)6(10)11/h3,5H,1-2,4H2,(H,10,11)/t5-,7+/m1/s1.
What are the key properties of (1R,4R)-4-formyl-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid?
(1R,4R)-4-formyl-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid has a molecular weight of 171.15 g/mol, XLogP of -0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-4-formyl-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid is sourced from PubChem (CID 174190714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).