methyl 3-amino-1-(4-methoxyphenyl)cyclobutane-1-carboxylate

C13H17NO3 — CID 115040738

IUPACmethyl 3-amino-1-(4-methoxyphenyl)cyclobutane-1-carboxylate
SMILESCOC(=O)C1(c2ccc(OC)cc2)CC(N)C1
InChIInChI=1S/C13H17NO3/c1-16-11-5-3-9(4-6-11)13(12(15)17-2)7-10(14)8-13/h3-6,10H,7-8,14H2,1-2H3
InChIKeyPFXBPMKLGDYXED-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.23
Rot. Bonds3

About methyl 3-amino-1-(4-methoxyphenyl)cyclobutane-1-carboxylate

methyl 3-amino-1-(4-methoxyphenyl)cyclobutane-1-carboxylate (PubChem CID 115040738) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is methyl 3-amino-1-(4-methoxyphenyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-1-(4-methoxyphenyl)cyclobutane-1-carboxylate
PubChem CID115040738
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namemethyl 3-amino-1-(4-methoxyphenyl)cyclobutane-1-carboxylate
SMILESCOC(=O)C1(c2ccc(OC)cc2)CC(N)C1
InChIInChI=1S/C13H17NO3/c1-16-11-5-3-9(4-6-11)13(12(15)17-2)7-10(14)8-13/h3-6,10H,7-8,14H2,1-2H3
InChIKeyPFXBPMKLGDYXED-UHFFFAOYSA-N
XLogP1.23
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 53016794
N-[(1R,2S)-2-aminocyclobutyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 133128043
1-(4-methoxyphenyl)-N'-methylcyclopropane-1-carbohydrazide
CID 116847276
N-cyclopentyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 110485718
1-(4-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid
CID 65000749
(1S)-2,2-bis(4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 129362220
methyl 1-(4-methoxy-3-nitrophenyl)cyclopropane-1-carboxylate;methyl 1-(4-methoxyphenyl)cyclopropane-1-carboxylate
CID 159144289
N-cycloheptyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198451
tert-butyl 1-(4-methoxyphenyl)cyclopropane-1-carboperoxoate
CID 10539552
3-(4-methoxyphenyl)-3-methylcyclopentan-1-amine
CID 116538662
methyl 3-amino-1-[2-(trifluoromethoxy)phenyl]cyclobutane-1-carboxylate;hydrochloride
CID 167714366
2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]-2-oxoacetamide
CID 108522545

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-1-(4-methoxyphenyl)cyclobutane-1-carboxylate?
The IUPAC name of methyl 3-amino-1-(4-methoxyphenyl)cyclobutane-1-carboxylate (CID 115040738) is methyl 3-amino-1-(4-methoxyphenyl)cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 3-amino-1-(4-methoxyphenyl)cyclobutane-1-carboxylate?
The canonical SMILES for methyl 3-amino-1-(4-methoxyphenyl)cyclobutane-1-carboxylate is COC(=O)C1(c2ccc(OC)cc2)CC(N)C1.
What is the InChIKey of methyl 3-amino-1-(4-methoxyphenyl)cyclobutane-1-carboxylate?
The InChIKey is PFXBPMKLGDYXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-16-11-5-3-9(4-6-11)13(12(15)17-2)7-10(14)8-13/h3-6,10H,7-8,14H2,1-2H3.
What are the key properties of methyl 3-amino-1-(4-methoxyphenyl)cyclobutane-1-carboxylate?
methyl 3-amino-1-(4-methoxyphenyl)cyclobutane-1-carboxylate has a molecular weight of 235.28 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-1-(4-methoxyphenyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 115040738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).