2-[1-[(4-methoxy-2-nitrophenoxy)methyl]cyclopropyl]acetic acid

C13H15NO6 — CID 65496144

IUPAC2-[1-[(4-methoxy-2-nitrophenoxy)methyl]cyclopropyl]acetic acid
SMILESCOc1ccc(OCC2(CC(=O)O)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H15NO6/c1-19-9-2-3-11(10(6-9)14(17)18)20-8-13(4-5-13)7-12(15)16/h2-3,6H,4-5,7-8H2,1H3,(H,15,16)
InChIKeyXFGCWEKJQLPAAH-UHFFFAOYSA-N
MW281.26 g/mol
LogP2.24
Rot. Bonds7

About 2-[1-[(4-methoxy-2-nitrophenoxy)methyl]cyclopropyl]acetic acid

2-[1-[(4-methoxy-2-nitrophenoxy)methyl]cyclopropyl]acetic acid (PubChem CID 65496144) has the molecular formula C13H15NO6 and a molecular weight of 281.26 g/mol. Its IUPAC name is 2-[1-[(4-methoxy-2-nitrophenoxy)methyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-methoxy-2-nitrophenoxy)methyl]cyclopropyl]acetic acid
PubChem CID65496144
Molecular FormulaC13H15NO6
Molecular Weight281.26 g/mol
Exact Mass281.09
IUPAC Name2-[1-[(4-methoxy-2-nitrophenoxy)methyl]cyclopropyl]acetic acid
SMILESCOc1ccc(OCC2(CC(=O)O)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H15NO6/c1-19-9-2-3-11(10(6-9)14(17)18)20-8-13(4-5-13)7-12(15)16/h2-3,6H,4-5,7-8H2,1H3,(H,15,16)
InChIKeyXFGCWEKJQLPAAH-UHFFFAOYSA-N
XLogP2.24
TPSA98.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[1-[(4-methoxy-2-nitrophenoxy)methyl]cyclopropyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopropyl]acetic acid
CID 65498478
2-[1-[(4-methoxy-2-nitrophenoxy)methyl]cyclopropyl]acetonitrile
CID 65494076
2-[1-[(5-methyl-2-nitrophenoxy)methyl]cyclopropyl]acetic acid
CID 65495933
1-[(4-methoxy-2-nitrophenoxy)methyl]cyclohexan-1-amine
CID 64572751
2-[1-[(2-methoxy-4-methylphenoxy)methyl]cyclopropyl]acetic acid
CID 65498044
N-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 35965140
4-methoxy-1-[2-(4-methylphenoxy)ethoxy]-2-nitrobenzene
CID 55327751
3-(4-methoxy-2-nitrophenoxy)-N-methylpropan-1-amine
CID 29015972
4-[[1-(bromomethyl)cyclopentyl]methoxy]-1-methoxy-2-nitrobenzene
CID 103201590
[1-[(5-methoxy-2-nitrophenoxy)methyl]cyclopentyl]methanethiol
CID 102703848
(4-methoxy-2-nitrophenyl) propanoate
CID 58225888
2-(5-methoxy-2-nitrophenoxy)acetic acid
CID 91683018

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methoxy-2-nitrophenoxy)methyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(4-methoxy-2-nitrophenoxy)methyl]cyclopropyl]acetic acid (CID 65496144) is 2-[1-[(4-methoxy-2-nitrophenoxy)methyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-methoxy-2-nitrophenoxy)methyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(4-methoxy-2-nitrophenoxy)methyl]cyclopropyl]acetic acid is COc1ccc(OCC2(CC(=O)O)CC2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[1-[(4-methoxy-2-nitrophenoxy)methyl]cyclopropyl]acetic acid?
The InChIKey is XFGCWEKJQLPAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO6/c1-19-9-2-3-11(10(6-9)14(17)18)20-8-13(4-5-13)7-12(15)16/h2-3,6H,4-5,7-8H2,1H3,(H,15,16).
What are the key properties of 2-[1-[(4-methoxy-2-nitrophenoxy)methyl]cyclopropyl]acetic acid?
2-[1-[(4-methoxy-2-nitrophenoxy)methyl]cyclopropyl]acetic acid has a molecular weight of 281.26 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methoxy-2-nitrophenoxy)methyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65496144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).