methyl 2-[[3-(aminomethyl)-4-methoxyphenyl]methyl]oxolane-2-carboxylate

C15H21NO4 — CID 59712509

IUPACmethyl 2-[[3-(aminomethyl)-4-methoxyphenyl]methyl]oxolane-2-carboxylate
SMILESCOC(=O)C1(Cc2ccc(OC)c(CN)c2)CCCO1
InChIInChI=1S/C15H21NO4/c1-18-13-5-4-11(8-12(13)10-16)9-15(14(17)19-2)6-3-7-20-15/h4-5,8H,3,6-7,9-10,16H2,1-2H3
InChIKeyXSFOTNOOEWSQES-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.42
Rot. Bonds5

About methyl 2-[[3-(aminomethyl)-4-methoxyphenyl]methyl]oxolane-2-carboxylate

methyl 2-[[3-(aminomethyl)-4-methoxyphenyl]methyl]oxolane-2-carboxylate (PubChem CID 59712509) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 2-[[3-(aminomethyl)-4-methoxyphenyl]methyl]oxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[3-(aminomethyl)-4-methoxyphenyl]methyl]oxolane-2-carboxylate
PubChem CID59712509
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl 2-[[3-(aminomethyl)-4-methoxyphenyl]methyl]oxolane-2-carboxylate
SMILESCOC(=O)C1(Cc2ccc(OC)c(CN)c2)CCCO1
InChIInChI=1S/C15H21NO4/c1-18-13-5-4-11(8-12(13)10-16)9-15(14(17)19-2)6-3-7-20-15/h4-5,8H,3,6-7,9-10,16H2,1-2H3
InChIKeyXSFOTNOOEWSQES-UHFFFAOYSA-N
XLogP1.42
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[(3-ethyl-4-methoxyphenyl)methyl]cyclobutane-1-carboxylate
CID 116929708
2-[[3-[[(4-chloro-2-fluorobenzoyl)amino]methyl]-4-methoxyphenyl]methyl]oxolane-2-carboxylic acid
CID 59712357
2-[[4-methoxy-3-[[(5-phenyl-1,2-oxazole-3-carbonyl)amino]methyl]phenyl]methyl]oxolane-2-carboxylic acid
CID 59712483
2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxylic acid
CID 110248554
2-[[3-[[(2,4-dimethoxybenzoyl)amino]methyl]-4-ethoxyphenyl]methyl]oxolane-2-carboxylic acid
CID 59712325
2-[[4-ethoxy-3-[(4-ethoxyphenyl)carbamoyloxymethyl]phenyl]methyl]oxolane-2-carboxylic acid
CID 59712310
methyl 1-[[3-(aminomethyl)-4-methoxyphenyl]-hydroxymethyl]cyclopropane-1-carboxylate
CID 59712443
(2S)-N-(2-acetamidoethyl)-2-[[3-(2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide
CID 124970605
1-[4-[[3-(aminomethyl)-4-methoxyphenyl]methyl]piperazin-1-yl]ethanone
CID 65340739
1-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid
CID 82090827
2-[[4-ethoxy-3-[[(4-propan-2-yloxybenzoyl)amino]methyl]phenyl]methyl]oxolane-2-carboxylic acid
CID 59712327
2-[[3-[3-[4-(carboxymethyl)-3-methoxyphenoxy]propoxy]phenyl]methyl]oxolane-2-carboxylic acid
CID 142214637

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(aminomethyl)-4-methoxyphenyl]methyl]oxolane-2-carboxylate?
The IUPAC name of methyl 2-[[3-(aminomethyl)-4-methoxyphenyl]methyl]oxolane-2-carboxylate (CID 59712509) is methyl 2-[[3-(aminomethyl)-4-methoxyphenyl]methyl]oxolane-2-carboxylate.
What is the SMILES notation for methyl 2-[[3-(aminomethyl)-4-methoxyphenyl]methyl]oxolane-2-carboxylate?
The canonical SMILES for methyl 2-[[3-(aminomethyl)-4-methoxyphenyl]methyl]oxolane-2-carboxylate is COC(=O)C1(Cc2ccc(OC)c(CN)c2)CCCO1.
What is the InChIKey of methyl 2-[[3-(aminomethyl)-4-methoxyphenyl]methyl]oxolane-2-carboxylate?
The InChIKey is XSFOTNOOEWSQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-18-13-5-4-11(8-12(13)10-16)9-15(14(17)19-2)6-3-7-20-15/h4-5,8H,3,6-7,9-10,16H2,1-2H3.
What are the key properties of methyl 2-[[3-(aminomethyl)-4-methoxyphenyl]methyl]oxolane-2-carboxylate?
methyl 2-[[3-(aminomethyl)-4-methoxyphenyl]methyl]oxolane-2-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(aminomethyl)-4-methoxyphenyl]methyl]oxolane-2-carboxylate is sourced from PubChem (CID 59712509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).