2-formamido-8-oxabicyclo[3.2.1]octane-2-carboxylic acid

C9H13NO4 — CID 131062721

IUPAC2-formamido-8-oxabicyclo[3.2.1]octane-2-carboxylic acid
SMILESO=CNC1(C(=O)O)CCC2CCC1O2
InChIInChI=1S/C9H13NO4/c11-5-10-9(8(12)13)4-3-6-1-2-7(9)14-6/h5-7H,1-4H2,(H,10,11)(H,12,13)
InChIKeyAYVLIEHPWLGMPO-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.10
Rot. Bonds3

About 2-formamido-8-oxabicyclo[3.2.1]octane-2-carboxylic acid

2-formamido-8-oxabicyclo[3.2.1]octane-2-carboxylic acid (PubChem CID 131062721) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-formamido-8-oxabicyclo[3.2.1]octane-2-carboxylic acid.

Molecular Properties

Compound Name2-formamido-8-oxabicyclo[3.2.1]octane-2-carboxylic acid
PubChem CID131062721
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name2-formamido-8-oxabicyclo[3.2.1]octane-2-carboxylic acid
SMILESO=CNC1(C(=O)O)CCC2CCC1O2
InChIInChI=1S/C9H13NO4/c11-5-10-9(8(12)13)4-3-6-1-2-7(9)14-6/h5-7H,1-4H2,(H,10,11)(H,12,13)
InChIKeyAYVLIEHPWLGMPO-UHFFFAOYSA-N
XLogP-0.10
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-2-methylprop-2-enyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 106440871
(1R,2R,4R)-2-chloro-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 124630487
1-formamido-4-propylcyclohexane-1-carboxylic acid
CID 63687820
spiro[8-oxabicyclo[3.2.1]octane-2,5'-oxolane]-2'-ylmethanol
CID 131173016
2-(5-oxaspiro[3.5]nonan-8-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 79922421
1-formamidocyclohexane-1-carboxylic acid
CID 61147418
1-formamido-3,4-dimethylcyclohexane-1-carboxylic acid
CID 64744877
(1S,2R,4R)-2-(aminomethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
CID 138040067
1-formamido-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 64756305
2-(2-hydroxy-8-oxabicyclo[3.2.1]octan-2-yl)acetonitrile
CID 130871615
2-formamidooxolane-2-carboxylic acid
CID 142369386
1-(carbamoylamino)cyclobutane-1,2-dicarboxylic acid
CID 130020232

Frequently Asked Questions

What is the IUPAC name of 2-formamido-8-oxabicyclo[3.2.1]octane-2-carboxylic acid?
The IUPAC name of 2-formamido-8-oxabicyclo[3.2.1]octane-2-carboxylic acid (CID 131062721) is 2-formamido-8-oxabicyclo[3.2.1]octane-2-carboxylic acid.
What is the SMILES notation for 2-formamido-8-oxabicyclo[3.2.1]octane-2-carboxylic acid?
The canonical SMILES for 2-formamido-8-oxabicyclo[3.2.1]octane-2-carboxylic acid is O=CNC1(C(=O)O)CCC2CCC1O2.
What is the InChIKey of 2-formamido-8-oxabicyclo[3.2.1]octane-2-carboxylic acid?
The InChIKey is AYVLIEHPWLGMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c11-5-10-9(8(12)13)4-3-6-1-2-7(9)14-6/h5-7H,1-4H2,(H,10,11)(H,12,13).
What are the key properties of 2-formamido-8-oxabicyclo[3.2.1]octane-2-carboxylic acid?
2-formamido-8-oxabicyclo[3.2.1]octane-2-carboxylic acid has a molecular weight of 199.21 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-8-oxabicyclo[3.2.1]octane-2-carboxylic acid is sourced from PubChem (CID 131062721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).