2-[1-[(5-methyl-2-nitrophenoxy)methyl]cyclopropyl]acetic acid

C13H15NO5 — CID 65495933

IUPAC2-[1-[(5-methyl-2-nitrophenoxy)methyl]cyclopropyl]acetic acid
SMILESCc1ccc([N+](=O)[O-])c(OCC2(CC(=O)O)CC2)c1
InChIInChI=1S/C13H15NO5/c1-9-2-3-10(14(17)18)11(6-9)19-8-13(4-5-13)7-12(15)16/h2-3,6H,4-5,7-8H2,1H3,(H,15,16)
InChIKeyRKLJQGSYCCFLNQ-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.54
Rot. Bonds6

About 2-[1-[(5-methyl-2-nitrophenoxy)methyl]cyclopropyl]acetic acid

2-[1-[(5-methyl-2-nitrophenoxy)methyl]cyclopropyl]acetic acid (PubChem CID 65495933) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-[1-[(5-methyl-2-nitrophenoxy)methyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(5-methyl-2-nitrophenoxy)methyl]cyclopropyl]acetic acid
PubChem CID65495933
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name2-[1-[(5-methyl-2-nitrophenoxy)methyl]cyclopropyl]acetic acid
SMILESCc1ccc([N+](=O)[O-])c(OCC2(CC(=O)O)CC2)c1
InChIInChI=1S/C13H15NO5/c1-9-2-3-10(14(17)18)11(6-9)19-8-13(4-5-13)7-12(15)16/h2-3,6H,4-5,7-8H2,1H3,(H,15,16)
InChIKeyRKLJQGSYCCFLNQ-UHFFFAOYSA-N
XLogP2.54
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[1-[(5-methyl-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-[(2-methoxy-4-methylphenoxy)methyl]cyclopropyl]acetic acid
CID 65498044
2-[[1-(bromomethyl)cyclopentyl]methoxy]-4-methyl-1-nitrobenzene
CID 65001287
2-[1-[(4-methoxy-2-nitrophenoxy)methyl]cyclopropyl]acetic acid
CID 65496144
2-[1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopropyl]acetic acid
CID 65498478
2-(5-methyl-2-nitrophenoxy)ethyl acetate
CID 10082949
4-methyl-2-(3-methylbutoxy)-1-nitrobenzene
CID 66999028
1-(5-methyl-2-nitrophenoxy)cyclopentan-1-ol
CID 67786788
tert-butyl carbamate;3-(5-methyl-2-nitrophenoxy)propanoic acid
CID 144684493
2-(5-methyl-2-nitrophenoxy)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 47057881
2-[1-[(2-fluoro-3-methylphenoxy)methyl]cyclopropyl]acetic acid
CID 107661550
4-(5-methyl-2-nitrophenoxy)pentanoic acid
CID 62214693
N-(4-methoxyphenyl)-3-(5-methyl-2-nitrophenoxy)propanamide
CID 38763636

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-methyl-2-nitrophenoxy)methyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(5-methyl-2-nitrophenoxy)methyl]cyclopropyl]acetic acid (CID 65495933) is 2-[1-[(5-methyl-2-nitrophenoxy)methyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(5-methyl-2-nitrophenoxy)methyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(5-methyl-2-nitrophenoxy)methyl]cyclopropyl]acetic acid is Cc1ccc([N+](=O)[O-])c(OCC2(CC(=O)O)CC2)c1.
What is the InChIKey of 2-[1-[(5-methyl-2-nitrophenoxy)methyl]cyclopropyl]acetic acid?
The InChIKey is RKLJQGSYCCFLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-9-2-3-10(14(17)18)11(6-9)19-8-13(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-[(5-methyl-2-nitrophenoxy)methyl]cyclopropyl]acetic acid?
2-[1-[(5-methyl-2-nitrophenoxy)methyl]cyclopropyl]acetic acid has a molecular weight of 265.26 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-methyl-2-nitrophenoxy)methyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65495933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).