methyl 2-[(3-methoxyphenyl)methylamino]cyclobutene-1-carboxylate

C14H17NO3 — CID 46895283

IUPACmethyl 2-[(3-methoxyphenyl)methylamino]cyclobutene-1-carboxylate
SMILESCOC(=O)C1=C(NCc2cccc(OC)c2)CC1
InChIInChI=1S/C14H17NO3/c1-17-11-5-3-4-10(8-11)9-15-13-7-6-12(13)14(16)18-2/h3-5,8,15H,6-7,9H2,1-2H3
InChIKeyOAMHBKMMYKBOLD-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.01
Rot. Bonds5

About methyl 2-[(3-methoxyphenyl)methylamino]cyclobutene-1-carboxylate

methyl 2-[(3-methoxyphenyl)methylamino]cyclobutene-1-carboxylate (PubChem CID 46895283) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is methyl 2-[(3-methoxyphenyl)methylamino]cyclobutene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-methoxyphenyl)methylamino]cyclobutene-1-carboxylate
PubChem CID46895283
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Namemethyl 2-[(3-methoxyphenyl)methylamino]cyclobutene-1-carboxylate
SMILESCOC(=O)C1=C(NCc2cccc(OC)c2)CC1
InChIInChI=1S/C14H17NO3/c1-17-11-5-3-4-10(8-11)9-15-13-7-6-12(13)14(16)18-2/h3-5,8,15H,6-7,9H2,1-2H3
InChIKeyOAMHBKMMYKBOLD-UHFFFAOYSA-N
XLogP2.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(benzylamino)cyclohexene-1-carboxylate
CID 10890178
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CID 115545001
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CID 60676710
N-[3-[(3-methoxyphenyl)methylamino]phenyl]propanamide
CID 28661894
2-[(3-methoxyphenyl)methylamino]acetic acid
CID 13236084
5-[(3-methoxyphenyl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 64630076
N'-[(3-methoxyphenyl)methyl]-N-methyloxamide
CID 2206408
N'-[(3-methoxyphenyl)methyl]oxamide
CID 69052749
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
3-hydroxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 66746123
2-[(3-methoxyphenyl)methylsulfamoyl]acetic acid
CID 43361997
methyl 2-[(3-methoxyphenyl)methylamino]-3-methylbutanoate
CID 60690958

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-methoxyphenyl)methylamino]cyclobutene-1-carboxylate?
The IUPAC name of methyl 2-[(3-methoxyphenyl)methylamino]cyclobutene-1-carboxylate (CID 46895283) is methyl 2-[(3-methoxyphenyl)methylamino]cyclobutene-1-carboxylate.
What is the SMILES notation for methyl 2-[(3-methoxyphenyl)methylamino]cyclobutene-1-carboxylate?
The canonical SMILES for methyl 2-[(3-methoxyphenyl)methylamino]cyclobutene-1-carboxylate is COC(=O)C1=C(NCc2cccc(OC)c2)CC1.
What is the InChIKey of methyl 2-[(3-methoxyphenyl)methylamino]cyclobutene-1-carboxylate?
The InChIKey is OAMHBKMMYKBOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-17-11-5-3-4-10(8-11)9-15-13-7-6-12(13)14(16)18-2/h3-5,8,15H,6-7,9H2,1-2H3.
What are the key properties of methyl 2-[(3-methoxyphenyl)methylamino]cyclobutene-1-carboxylate?
methyl 2-[(3-methoxyphenyl)methylamino]cyclobutene-1-carboxylate has a molecular weight of 247.29 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-methoxyphenyl)methylamino]cyclobutene-1-carboxylate is sourced from PubChem (CID 46895283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).