methyl 1-(2-methoxy-4-nitrophenyl)azetidine-2-carboxylate

C12H14N2O5 — CID 112581424

IUPACmethyl 1-(2-methoxy-4-nitrophenyl)azetidine-2-carboxylate
SMILESCOC(=O)C1CCN1c1ccc([N+](=O)[O-])cc1OC
InChIInChI=1S/C12H14N2O5/c1-18-11-7-8(14(16)17)3-4-9(11)13-6-5-10(13)12(15)19-2/h3-4,7,10H,5-6H2,1-2H3
InChIKeyFTQOXHOVZSKWPY-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.36
Rot. Bonds4

About methyl 1-(2-methoxy-4-nitrophenyl)azetidine-2-carboxylate

methyl 1-(2-methoxy-4-nitrophenyl)azetidine-2-carboxylate (PubChem CID 112581424) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is methyl 1-(2-methoxy-4-nitrophenyl)azetidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methoxy-4-nitrophenyl)azetidine-2-carboxylate
PubChem CID112581424
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Namemethyl 1-(2-methoxy-4-nitrophenyl)azetidine-2-carboxylate
SMILESCOC(=O)C1CCN1c1ccc([N+](=O)[O-])cc1OC
InChIInChI=1S/C12H14N2O5/c1-18-11-7-8(14(16)17)3-4-9(11)13-6-5-10(13)12(15)19-2/h3-4,7,10H,5-6H2,1-2H3
InChIKeyFTQOXHOVZSKWPY-UHFFFAOYSA-N
XLogP1.36
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 1-(2-methoxy-4-nitrophenyl)azetidine-2-carboxylate 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

methyl (2S)-1-(2,4-dinitrophenyl)pyrrolidine-2-carboxylate
CID 12826384
methyl (2S)-1-(2,5-difluoro-4-nitrophenyl)azetidine-2-carboxylate
CID 153475997
(3S,4S)-1-(2-methoxy-4-nitrophenyl)pyrrolidine-3,4-diol
CID 58386081
methyl 1-(4-cyano-2-nitrophenyl)pyrrolidine-2-carboxylate
CID 62006998
methyl 3-(2,4-dinitrophenyl)-1,3-thiazolidine-4-carboxylate
CID 13162384
2-(azepan-1-yl)-N-(2-methoxy-4-nitrophenyl)-2-oxoacetamide
CID 108512934
2-(4-methoxycarbonylpiperidin-1-yl)-5-nitrobenzoic acid
CID 91687161
2-(2-methoxy-4-nitrophenyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 67060270
methyl 1-(4-nitrophenyl)aziridine-2-carboxylate
CID 11368029
(3S,5S)-1-(2-methoxy-4-nitrophenyl)-3,5-dimethylpiperidine
CID 99966472
1-(2-methoxy-4-nitrophenyl)-3,5-dimethylpiperidine
CID 91679307
methyl 1-(2-chloro-5-methoxyphenyl)azetidine-2-carboxylate
CID 112581249

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methoxy-4-nitrophenyl)azetidine-2-carboxylate?
The IUPAC name of methyl 1-(2-methoxy-4-nitrophenyl)azetidine-2-carboxylate (CID 112581424) is methyl 1-(2-methoxy-4-nitrophenyl)azetidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2-methoxy-4-nitrophenyl)azetidine-2-carboxylate?
The canonical SMILES for methyl 1-(2-methoxy-4-nitrophenyl)azetidine-2-carboxylate is COC(=O)C1CCN1c1ccc([N+](=O)[O-])cc1OC.
What is the InChIKey of methyl 1-(2-methoxy-4-nitrophenyl)azetidine-2-carboxylate?
The InChIKey is FTQOXHOVZSKWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-18-11-7-8(14(16)17)3-4-9(11)13-6-5-10(13)12(15)19-2/h3-4,7,10H,5-6H2,1-2H3.
What are the key properties of methyl 1-(2-methoxy-4-nitrophenyl)azetidine-2-carboxylate?
methyl 1-(2-methoxy-4-nitrophenyl)azetidine-2-carboxylate has a molecular weight of 266.25 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methoxy-4-nitrophenyl)azetidine-2-carboxylate is sourced from PubChem (CID 112581424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).