2-(2-phenoxypropoxyimino)butanoic acid

C13H17NO4 — CID 54384745

IUPAC2-(2-phenoxypropoxyimino)butanoic acid
SMILESCCC(=NOCC(C)Oc1ccccc1)C(=O)O
InChIInChI=1S/C13H17NO4/c1-3-12(13(15)16)14-17-9-10(2)18-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,15,16)
InChIKeyVCKUCLZOJONWIO-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.32
Rot. Bonds7

About 2-(2-phenoxypropoxyimino)butanoic acid

2-(2-phenoxypropoxyimino)butanoic acid (PubChem CID 54384745) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-(2-phenoxypropoxyimino)butanoic acid.

Molecular Properties

Compound Name2-(2-phenoxypropoxyimino)butanoic acid
PubChem CID54384745
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-(2-phenoxypropoxyimino)butanoic acid
SMILESCCC(=NOCC(C)Oc1ccccc1)C(=O)O
InChIInChI=1S/C13H17NO4/c1-3-12(13(15)16)14-17-9-10(2)18-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,15,16)
InChIKeyVCKUCLZOJONWIO-UHFFFAOYSA-N
XLogP2.32
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

3-fluoro-2-(2-phenoxypropoxyimino)propanoic acid
CID 54239682
sodium;2-(2-phenoxypropoxyimino)propanoate;O-(2-phenoxypropyl)hydroxylamine
CID 74089093
2-[2-(3-chlorophenoxy)propoxyimino]propanoic acid
CID 54022537
2-[2-(2-phenoxypropoxy)propoxy]propyl 2-methylpropanoate
CID 139884710
[(2R)-2-(4-phenoxyphenoxy)propyl] acetate
CID 10589281
bis(2-phenoxypropyl) hydrogen phosphate
CID 21023163
2-phenoxypropyl dihydrogen phosphate
CID 21023142
1-ethenoxypropan-2-yloxybenzene
CID 19808106
2-phenoxypropyl octanoate
CID 73080448
3-fluoro-2-(2-phenoxypropoxyamino)prop-2-enoic acid
CID 57230498
benzene;ethane;2-phenoxypropan-1-ol
CID 145115512
N-ethyl-2-phenoxypropanamide
CID 4282518

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxypropoxyimino)butanoic acid?
The IUPAC name of 2-(2-phenoxypropoxyimino)butanoic acid (CID 54384745) is 2-(2-phenoxypropoxyimino)butanoic acid.
What is the SMILES notation for 2-(2-phenoxypropoxyimino)butanoic acid?
The canonical SMILES for 2-(2-phenoxypropoxyimino)butanoic acid is CCC(=NOCC(C)Oc1ccccc1)C(=O)O.
What is the InChIKey of 2-(2-phenoxypropoxyimino)butanoic acid?
The InChIKey is VCKUCLZOJONWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-3-12(13(15)16)14-17-9-10(2)18-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-phenoxypropoxyimino)butanoic acid?
2-(2-phenoxypropoxyimino)butanoic acid has a molecular weight of 251.28 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxypropoxyimino)butanoic acid is sourced from PubChem (CID 54384745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).