1-[(4-methoxyphenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid

C14H19NO3 — CID 116958932

IUPAC1-[(4-methoxyphenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid
SMILESCNC(c1ccc(OC)cc1)C1(C(=O)O)CCC1
InChIInChI=1S/C14H19NO3/c1-15-12(14(13(16)17)8-3-9-14)10-4-6-11(18-2)7-5-10/h4-7,12,15H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyYFIOSUJTJJDIIZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.21
Rot. Bonds5

About 1-[(4-methoxyphenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid

1-[(4-methoxyphenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid (PubChem CID 116958932) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid
PubChem CID116958932
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-[(4-methoxyphenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid
SMILESCNC(c1ccc(OC)cc1)C1(C(=O)O)CCC1
InChIInChI=1S/C14H19NO3/c1-15-12(14(13(16)17)8-3-9-14)10-4-6-11(18-2)7-5-10/h4-7,12,15H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyYFIOSUJTJJDIIZ-UHFFFAOYSA-N
XLogP2.21
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid
CID 116958929
methyl 1-[(4-chlorophenyl)-(methylamino)methyl]cyclobutane-1-carboxylate
CID 116959110
[3-[(4-methoxyphenyl)-(methylamino)methyl]oxetan-3-yl]methanol
CID 116959457
1-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
CID 116958147
1-[(3-fluoro-4-methoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
CID 116958135
1-[(4-ethylsulfanylphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
CID 116958179
methyl 1-[(1R)-1-(4-methoxyphenyl)prop-2-enyl]cyclobutane-1-carboxylate
CID 134968785
[(1-methoxycyclobutyl)-(4-methoxyphenyl)methyl]hydrazine
CID 105270350
1-[(2,5-dimethylphenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid
CID 116958928
N-[1-(4-methoxyphenyl)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 110437540
1-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid
CID 120684629
3-acetamido-2-(4-methoxyphenyl)-2-methyloxane-3-carboxylic acid
CID 15643851

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(4-methoxyphenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid (CID 116958932) is 1-[(4-methoxyphenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-methoxyphenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(4-methoxyphenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid is CNC(c1ccc(OC)cc1)C1(C(=O)O)CCC1.
What is the InChIKey of 1-[(4-methoxyphenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is YFIOSUJTJJDIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-15-12(14(13(16)17)8-3-9-14)10-4-6-11(18-2)7-5-10/h4-7,12,15H,3,8-9H2,1-2H3,(H,16,17).
What are the key properties of 1-[(4-methoxyphenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid?
1-[(4-methoxyphenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 116958932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).