2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxyacetic acid

C15H19NO5 — CID 44541745

IUPAC2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxyacetic acid
SMILESCOc1ccc(/C=N/OCC(=O)O)cc1OC1CCCC1
InChIInChI=1S/C15H19NO5/c1-19-13-7-6-11(9-16-20-10-15(17)18)8-14(13)21-12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3,(H,17,18)/b16-9+
InChIKeyFHEXWTOUKFBCNP-CXUHLZMHSA-N
MW293.32 g/mol
LogP2.45
Rot. Bonds7

About 2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxyacetic acid

2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxyacetic acid (PubChem CID 44541745) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxyacetic acid.

Molecular Properties

Compound Name2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxyacetic acid
PubChem CID44541745
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxyacetic acid
SMILESCOc1ccc(/C=N/OCC(=O)O)cc1OC1CCCC1
InChIInChI=1S/C15H19NO5/c1-19-13-7-6-11(9-16-20-10-15(17)18)8-14(13)21-12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3,(H,17,18)/b16-9+
InChIKeyFHEXWTOUKFBCNP-CXUHLZMHSA-N
XLogP2.45
TPSA77.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
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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Related Compounds

1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]piperidine-4-carboxylic acid
CID 110173499
ethyl N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]carbamate
CID 54480255
2-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]ethanethioamide
CID 58241283
N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-2-(dimethylamino)acetamide
CID 163716487
(2S)-1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-3-morpholin-4-ylpropan-2-ol
CID 44541895
(E)-3-(4-cyclopentyloxy-3-methoxyphenyl)prop-2-enoic acid
CID 43147789
1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-3-(morpholin-4-ylamino)propan-2-ol
CID 118711357
(E)-3-(4-cyclobutyloxy-3-methoxyphenyl)prop-2-enoic acid
CID 138464982
2-cyclopentyloxy-1-methoxy-4-[(E)-2-nitrosoethenyl]benzene
CID 89146119
2-[(E)-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-morpholin-4-ylethanone
CID 122179941
1-(3-cyclopentyloxy-4-methoxyphenyl)-N-piperidin-1-ylmethanimine
CID 54551418
dimethyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)methylidene]butanedioate
CID 85045270

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxyacetic acid?
The IUPAC name of 2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxyacetic acid (CID 44541745) is 2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxyacetic acid.
What is the SMILES notation for 2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxyacetic acid?
The canonical SMILES for 2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxyacetic acid is COc1ccc(/C=N/OCC(=O)O)cc1OC1CCCC1.
What is the InChIKey of 2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxyacetic acid?
The InChIKey is FHEXWTOUKFBCNP-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H19NO5/c1-19-13-7-6-11(9-16-20-10-15(17)18)8-14(13)21-12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3,(H,17,18)/b16-9+.
What are the key properties of 2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxyacetic acid?
2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxyacetic acid has a molecular weight of 293.32 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxyacetic acid is sourced from PubChem (CID 44541745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).