methyl 1-[[3-(aminomethyl)-4-methoxyphenyl]-hydroxymethyl]cyclopropane-1-carboxylate

C14H19NO4 — CID 59712443

IUPACmethyl 1-[[3-(aminomethyl)-4-methoxyphenyl]-hydroxymethyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C(O)c2ccc(OC)c(CN)c2)CC1
InChIInChI=1S/C14H19NO4/c1-18-11-4-3-9(7-10(11)8-15)12(16)14(5-6-14)13(17)19-2/h3-4,7,12,16H,5-6,8,15H2,1-2H3
InChIKeyRXWZRNUWTMLCAW-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.14
Rot. Bonds5

About methyl 1-[[3-(aminomethyl)-4-methoxyphenyl]-hydroxymethyl]cyclopropane-1-carboxylate

methyl 1-[[3-(aminomethyl)-4-methoxyphenyl]-hydroxymethyl]cyclopropane-1-carboxylate (PubChem CID 59712443) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 1-[[3-(aminomethyl)-4-methoxyphenyl]-hydroxymethyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[3-(aminomethyl)-4-methoxyphenyl]-hydroxymethyl]cyclopropane-1-carboxylate
PubChem CID59712443
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 1-[[3-(aminomethyl)-4-methoxyphenyl]-hydroxymethyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C(O)c2ccc(OC)c(CN)c2)CC1
InChIInChI=1S/C14H19NO4/c1-18-11-4-3-9(7-10(11)8-15)12(16)14(5-6-14)13(17)19-2/h3-4,7,12,16H,5-6,8,15H2,1-2H3
InChIKeyRXWZRNUWTMLCAW-UHFFFAOYSA-N
XLogP1.14
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[amino-(3-ethyl-4-methoxyphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116943091
methyl 1-[(2-methoxy-5-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylate
CID 116929798
methyl 2-[[3-(aminomethyl)-4-methoxyphenyl]methyl]oxolane-2-carboxylate
CID 59712509
1-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
CID 116958147
methyl 1-[amino-(4-tert-butylphenyl)methyl]cyclopropane-1-carboxylate
CID 116944350
1-[3-(aminomethyl)-4-methoxyphenyl]-N,N-diethylethanamine
CID 105498192
1-(3-ethyl-4-methoxyphenyl)ethanol
CID 83529963
methyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate
CID 116856998
1-[(3-fluoro-4-methoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
CID 116958135
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
methyl 1-[amino(1,3-benzodioxol-5-yl)methyl]cyclobutane-1-carboxylate
CID 116944302
(2R)-2-amino-2-[3-(hydroxymethyl)-4-methoxyphenyl]ethanol
CID 66510832

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[3-(aminomethyl)-4-methoxyphenyl]-hydroxymethyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[[3-(aminomethyl)-4-methoxyphenyl]-hydroxymethyl]cyclopropane-1-carboxylate (CID 59712443) is methyl 1-[[3-(aminomethyl)-4-methoxyphenyl]-hydroxymethyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[[3-(aminomethyl)-4-methoxyphenyl]-hydroxymethyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[[3-(aminomethyl)-4-methoxyphenyl]-hydroxymethyl]cyclopropane-1-carboxylate is COC(=O)C1(C(O)c2ccc(OC)c(CN)c2)CC1.
What is the InChIKey of methyl 1-[[3-(aminomethyl)-4-methoxyphenyl]-hydroxymethyl]cyclopropane-1-carboxylate?
The InChIKey is RXWZRNUWTMLCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-18-11-4-3-9(7-10(11)8-15)12(16)14(5-6-14)13(17)19-2/h3-4,7,12,16H,5-6,8,15H2,1-2H3.
What are the key properties of methyl 1-[[3-(aminomethyl)-4-methoxyphenyl]-hydroxymethyl]cyclopropane-1-carboxylate?
methyl 1-[[3-(aminomethyl)-4-methoxyphenyl]-hydroxymethyl]cyclopropane-1-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[3-(aminomethyl)-4-methoxyphenyl]-hydroxymethyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 59712443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).