3-[(E)-cyclohexylmethylideneamino]oxypropanoic acid

C10H17NO3 — CID 14641205

IUPAC3-[(E)-cyclohexylmethylideneamino]oxypropanoic acid
SMILESO=C(O)CCO/N=C/C1CCCCC1
InChIInChI=1S/C10H17NO3/c12-10(13)6-7-14-11-8-9-4-2-1-3-5-9/h8-9H,1-7H2,(H,12,13)/b11-8+
InChIKeyYPWMGCHNERBIIQ-DHZHZOJOSA-N
MW199.25 g/mol
LogP2.04
Rot. Bonds5

About 3-[(E)-cyclohexylmethylideneamino]oxypropanoic acid

3-[(E)-cyclohexylmethylideneamino]oxypropanoic acid (PubChem CID 14641205) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-[(E)-cyclohexylmethylideneamino]oxypropanoic acid.

Molecular Properties

Compound Name3-[(E)-cyclohexylmethylideneamino]oxypropanoic acid
PubChem CID14641205
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name3-[(E)-cyclohexylmethylideneamino]oxypropanoic acid
SMILESO=C(O)CCO/N=C/C1CCCCC1
InChIInChI=1S/C10H17NO3/c12-10(13)6-7-14-11-8-9-4-2-1-3-5-9/h8-9H,1-7H2,(H,12,13)/b11-8+
InChIKeyYPWMGCHNERBIIQ-DHZHZOJOSA-N
XLogP2.04
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.04
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-[(E)-cyclohexylmethylideneamino]oxypropanoic acid?
The IUPAC name of 3-[(E)-cyclohexylmethylideneamino]oxypropanoic acid (CID 14641205) is 3-[(E)-cyclohexylmethylideneamino]oxypropanoic acid.
What is the SMILES notation for 3-[(E)-cyclohexylmethylideneamino]oxypropanoic acid?
The canonical SMILES for 3-[(E)-cyclohexylmethylideneamino]oxypropanoic acid is O=C(O)CCO/N=C/C1CCCCC1.
What is the InChIKey of 3-[(E)-cyclohexylmethylideneamino]oxypropanoic acid?
The InChIKey is YPWMGCHNERBIIQ-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H17NO3/c12-10(13)6-7-14-11-8-9-4-2-1-3-5-9/h8-9H,1-7H2,(H,12,13)/b11-8+.
What are the key properties of 3-[(E)-cyclohexylmethylideneamino]oxypropanoic acid?
3-[(E)-cyclohexylmethylideneamino]oxypropanoic acid has a molecular weight of 199.25 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-cyclohexylmethylideneamino]oxypropanoic acid is sourced from PubChem (CID 14641205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).