3-(2-bicyclo[2.2.1]heptanylideneamino)oxypropanoic acid

C10H15NO3 — CID 74968256

IUPAC3-(2-bicyclo[2.2.1]heptanylideneamino)oxypropanoic acid
SMILESO=C(O)CCON=C1CC2CCC1C2
InChIInChI=1S/C10H15NO3/c12-10(13)3-4-14-11-9-6-7-1-2-8(9)5-7/h7-8H,1-6H2,(H,12,13)
InChIKeyGROFOJLPSZMPOW-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.65
Rot. Bonds4

About 3-(2-bicyclo[2.2.1]heptanylideneamino)oxypropanoic acid

3-(2-bicyclo[2.2.1]heptanylideneamino)oxypropanoic acid (PubChem CID 74968256) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanylideneamino)oxypropanoic acid.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanylideneamino)oxypropanoic acid
PubChem CID74968256
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-(2-bicyclo[2.2.1]heptanylideneamino)oxypropanoic acid
SMILESO=C(O)CCON=C1CC2CCC1C2
InChIInChI=1S/C10H15NO3/c12-10(13)3-4-14-11-9-6-7-1-2-8(9)5-7/h7-8H,1-6H2,(H,12,13)
InChIKeyGROFOJLPSZMPOW-UHFFFAOYSA-N
XLogP1.65
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanylideneamino)oxypropanoic acid?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanylideneamino)oxypropanoic acid (CID 74968256) is 3-(2-bicyclo[2.2.1]heptanylideneamino)oxypropanoic acid.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanylideneamino)oxypropanoic acid?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanylideneamino)oxypropanoic acid is O=C(O)CCON=C1CC2CCC1C2.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanylideneamino)oxypropanoic acid?
The InChIKey is GROFOJLPSZMPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c12-10(13)3-4-14-11-9-6-7-1-2-8(9)5-7/h7-8H,1-6H2,(H,12,13).
What are the key properties of 3-(2-bicyclo[2.2.1]heptanylideneamino)oxypropanoic acid?
3-(2-bicyclo[2.2.1]heptanylideneamino)oxypropanoic acid has a molecular weight of 197.23 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanylideneamino)oxypropanoic acid is sourced from PubChem (CID 74968256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).