2-[(Z)-[3-(3-cyclohexyl-3-hydroxypropyl)-2-hydroxy-6-bicyclo[3.2.0]heptanylidene]amino]oxyacetic acid

C18H29NO5 — CID 88687349

IUPAC2-[(Z)-[3-(3-cyclohexyl-3-hydroxypropyl)-2-hydroxy-6-bicyclo[3.2.0]heptanylidene]amino]oxyacetic acid
SMILESO=C(O)CO/N=C1/CC2C1CC(CCC(O)C1CCCCC1)C2O
InChIInChI=1S/C18H29NO5/c20-16(11-4-2-1-3-5-11)7-6-12-8-13-14(18(12)23)9-15(13)19-24-10-17(21)22/h11-14,16,18,20,23H,1-10H2,(H,21,22)/b19-15-
InChIKeyYOFCJKYCOCOIMH-CYVLTUHYSA-N
MW339.43 g/mol
LogP2.18
Rot. Bonds7

About 2-[(Z)-[3-(3-cyclohexyl-3-hydroxypropyl)-2-hydroxy-6-bicyclo[3.2.0]heptanylidene]amino]oxyacetic acid

2-[(Z)-[3-(3-cyclohexyl-3-hydroxypropyl)-2-hydroxy-6-bicyclo[3.2.0]heptanylidene]amino]oxyacetic acid (PubChem CID 88687349) has the molecular formula C18H29NO5 and a molecular weight of 339.43 g/mol. Its IUPAC name is 2-[(Z)-[3-(3-cyclohexyl-3-hydroxypropyl)-2-hydroxy-6-bicyclo[3.2.0]heptanylidene]amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(Z)-[3-(3-cyclohexyl-3-hydroxypropyl)-2-hydroxy-6-bicyclo[3.2.0]heptanylidene]amino]oxyacetic acid
PubChem CID88687349
Molecular FormulaC18H29NO5
Molecular Weight339.43 g/mol
Exact Mass339.20
IUPAC Name2-[(Z)-[3-(3-cyclohexyl-3-hydroxypropyl)-2-hydroxy-6-bicyclo[3.2.0]heptanylidene]amino]oxyacetic acid
SMILESO=C(O)CO/N=C1/CC2C1CC(CCC(O)C1CCCCC1)C2O
InChIInChI=1S/C18H29NO5/c20-16(11-4-2-1-3-5-11)7-6-12-8-13-14(18(12)23)9-15(13)19-24-10-17(21)22/h11-14,16,18,20,23H,1-10H2,(H,21,22)/b19-15-
InChIKeyYOFCJKYCOCOIMH-CYVLTUHYSA-N
XLogP2.18
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 2-[(Z)-[3-(3-cyclohexyl-3-hydroxypropyl)-2-hydroxy-6-bicyclo[3.2.0]heptanylidene]amino]oxyacetic acid?
The IUPAC name of 2-[(Z)-[3-(3-cyclohexyl-3-hydroxypropyl)-2-hydroxy-6-bicyclo[3.2.0]heptanylidene]amino]oxyacetic acid (CID 88687349) is 2-[(Z)-[3-(3-cyclohexyl-3-hydroxypropyl)-2-hydroxy-6-bicyclo[3.2.0]heptanylidene]amino]oxyacetic acid.
What is the SMILES notation for 2-[(Z)-[3-(3-cyclohexyl-3-hydroxypropyl)-2-hydroxy-6-bicyclo[3.2.0]heptanylidene]amino]oxyacetic acid?
The canonical SMILES for 2-[(Z)-[3-(3-cyclohexyl-3-hydroxypropyl)-2-hydroxy-6-bicyclo[3.2.0]heptanylidene]amino]oxyacetic acid is O=C(O)CO/N=C1/CC2C1CC(CCC(O)C1CCCCC1)C2O.
What is the InChIKey of 2-[(Z)-[3-(3-cyclohexyl-3-hydroxypropyl)-2-hydroxy-6-bicyclo[3.2.0]heptanylidene]amino]oxyacetic acid?
The InChIKey is YOFCJKYCOCOIMH-CYVLTUHYSA-N. The full InChI is InChI=1S/C18H29NO5/c20-16(11-4-2-1-3-5-11)7-6-12-8-13-14(18(12)23)9-15(13)19-24-10-17(21)22/h11-14,16,18,20,23H,1-10H2,(H,21,22)/b19-15-.
What are the key properties of 2-[(Z)-[3-(3-cyclohexyl-3-hydroxypropyl)-2-hydroxy-6-bicyclo[3.2.0]heptanylidene]amino]oxyacetic acid?
2-[(Z)-[3-(3-cyclohexyl-3-hydroxypropyl)-2-hydroxy-6-bicyclo[3.2.0]heptanylidene]amino]oxyacetic acid has a molecular weight of 339.43 g/mol, XLogP of 2.18, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[3-(3-cyclohexyl-3-hydroxypropyl)-2-hydroxy-6-bicyclo[3.2.0]heptanylidene]amino]oxyacetic acid is sourced from PubChem (CID 88687349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).