2-[2-(3-ethyloxetan-3-yl)ethylideneamino]acetic acid

C9H15NO3 — CID 141301730

IUPAC2-[2-(3-ethyloxetan-3-yl)ethylideneamino]acetic acid
SMILESCCC1(C/C=N/CC(=O)O)COC1
InChIInChI=1S/C9H15NO3/c1-2-9(6-13-7-9)3-4-10-5-8(11)12/h4H,2-3,5-7H2,1H3,(H,11,12)/b10-4+
InChIKeyWTYWNPBPWIPSOM-ONNFQVAWSA-N
MW185.22 g/mol
LogP0.96
Rot. Bonds5

About 2-[2-(3-ethyloxetan-3-yl)ethylideneamino]acetic acid

2-[2-(3-ethyloxetan-3-yl)ethylideneamino]acetic acid (PubChem CID 141301730) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-[2-(3-ethyloxetan-3-yl)ethylideneamino]acetic acid.

Molecular Properties

Compound Name2-[2-(3-ethyloxetan-3-yl)ethylideneamino]acetic acid
PubChem CID141301730
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-[2-(3-ethyloxetan-3-yl)ethylideneamino]acetic acid
SMILESCCC1(C/C=N/CC(=O)O)COC1
InChIInChI=1S/C9H15NO3/c1-2-9(6-13-7-9)3-4-10-5-8(11)12/h4H,2-3,5-7H2,1H3,(H,11,12)/b10-4+
InChIKeyWTYWNPBPWIPSOM-ONNFQVAWSA-N
XLogP0.96
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethyloxetan-3-yl)ethylideneamino]acetic acid?
The IUPAC name of 2-[2-(3-ethyloxetan-3-yl)ethylideneamino]acetic acid (CID 141301730) is 2-[2-(3-ethyloxetan-3-yl)ethylideneamino]acetic acid.
What is the SMILES notation for 2-[2-(3-ethyloxetan-3-yl)ethylideneamino]acetic acid?
The canonical SMILES for 2-[2-(3-ethyloxetan-3-yl)ethylideneamino]acetic acid is CCC1(C/C=N/CC(=O)O)COC1.
What is the InChIKey of 2-[2-(3-ethyloxetan-3-yl)ethylideneamino]acetic acid?
The InChIKey is WTYWNPBPWIPSOM-ONNFQVAWSA-N. The full InChI is InChI=1S/C9H15NO3/c1-2-9(6-13-7-9)3-4-10-5-8(11)12/h4H,2-3,5-7H2,1H3,(H,11,12)/b10-4+.
What are the key properties of 2-[2-(3-ethyloxetan-3-yl)ethylideneamino]acetic acid?
2-[2-(3-ethyloxetan-3-yl)ethylideneamino]acetic acid has a molecular weight of 185.22 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethyloxetan-3-yl)ethylideneamino]acetic acid is sourced from PubChem (CID 141301730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).