2-[[2-methoxy-2-(oxan-4-yl)ethylidene]amino]acetic acid

C10H17NO4 — CID 91601524

IUPAC2-[[2-methoxy-2-(oxan-4-yl)ethylidene]amino]acetic acid
SMILESCOC(/C=N/CC(=O)O)C1CCOCC1
InChIInChI=1S/C10H17NO4/c1-14-9(6-11-7-10(12)13)8-2-4-15-5-3-8/h6,8-9H,2-5,7H2,1H3,(H,12,13)/b11-6+
InChIKeyFFKSRTRPBKQFFB-IZZDOVSWSA-N
MW215.25 g/mol
LogP0.58
Rot. Bonds5

About 2-[[2-methoxy-2-(oxan-4-yl)ethylidene]amino]acetic acid

2-[[2-methoxy-2-(oxan-4-yl)ethylidene]amino]acetic acid (PubChem CID 91601524) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-[[2-methoxy-2-(oxan-4-yl)ethylidene]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-methoxy-2-(oxan-4-yl)ethylidene]amino]acetic acid
PubChem CID91601524
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2-[[2-methoxy-2-(oxan-4-yl)ethylidene]amino]acetic acid
SMILESCOC(/C=N/CC(=O)O)C1CCOCC1
InChIInChI=1S/C10H17NO4/c1-14-9(6-11-7-10(12)13)8-2-4-15-5-3-8/h6,8-9H,2-5,7H2,1H3,(H,12,13)/b11-6+
InChIKeyFFKSRTRPBKQFFB-IZZDOVSWSA-N
XLogP0.58
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[2-(Tetrahydro-pyran-4-yl)-eth-(e)-ylideneamino]-acetic acid tert-butyl ester
CID 59249246
2-[[Methoxy(oxan-4-yl)methylidene]amino]acetic acid
CID 67131842
2-(Oxan-4-ylmethylideneamino)acetic acid
CID 68818003
2-[(2-Methoxy-4-methylpentylidene)amino]acetic acid
CID 91353274
Methyl 2-[[methoxy(oxan-4-yl)methylidene]amino]acetate
CID 141200886

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxy-2-(oxan-4-yl)ethylidene]amino]acetic acid?
The IUPAC name of 2-[[2-methoxy-2-(oxan-4-yl)ethylidene]amino]acetic acid (CID 91601524) is 2-[[2-methoxy-2-(oxan-4-yl)ethylidene]amino]acetic acid.
What is the SMILES notation for 2-[[2-methoxy-2-(oxan-4-yl)ethylidene]amino]acetic acid?
The canonical SMILES for 2-[[2-methoxy-2-(oxan-4-yl)ethylidene]amino]acetic acid is COC(/C=N/CC(=O)O)C1CCOCC1.
What is the InChIKey of 2-[[2-methoxy-2-(oxan-4-yl)ethylidene]amino]acetic acid?
The InChIKey is FFKSRTRPBKQFFB-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H17NO4/c1-14-9(6-11-7-10(12)13)8-2-4-15-5-3-8/h6,8-9H,2-5,7H2,1H3,(H,12,13)/b11-6+.
What are the key properties of 2-[[2-methoxy-2-(oxan-4-yl)ethylidene]amino]acetic acid?
2-[[2-methoxy-2-(oxan-4-yl)ethylidene]amino]acetic acid has a molecular weight of 215.25 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxy-2-(oxan-4-yl)ethylidene]amino]acetic acid is sourced from PubChem (CID 91601524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).