methyl 2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzoate

C14H19NO4 — CID 103923800

IUPACmethyl 2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzoate
SMILESCOC(=O)c1ccccc1CNCC1(O)CCOC1
InChIInChI=1S/C14H19NO4/c1-18-13(16)12-5-3-2-4-11(12)8-15-9-14(17)6-7-19-10-14/h2-5,15,17H,6-10H2,1H3
InChIKeyRLGCUHQQLNQONJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.71
Rot. Bonds5

About methyl 2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzoate

methyl 2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzoate (PubChem CID 103923800) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzoate
PubChem CID103923800
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzoate
SMILESCOC(=O)c1ccccc1CNCC1(O)CCOC1
InChIInChI=1S/C14H19NO4/c1-18-13(16)12-5-3-2-4-11(12)8-15-9-14(17)6-7-19-10-14/h2-5,15,17H,6-10H2,1H3
InChIKeyRLGCUHQQLNQONJ-UHFFFAOYSA-N
XLogP0.71
TPSA67.79 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 ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]benzoate
CID 104721656
3-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol
CID 103848379
3-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]oxolan-3-ol
CID 103848277
3-[[(2,3,4-trimethoxyphenyl)methylamino]methyl]oxolan-3-ol
CID 103848244
4-[[(2-hydroxyphenyl)methylamino]methyl]oxan-4-ol
CID 78929051
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103849795
4-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzene-1,3-diol
CID 113337838
methyl 2-[(2-aminoethylamino)methyl]benzoate
CID 60889481
1-[2-[(3-hydroxyoxolan-3-yl)methyl]phenyl]ethanone
CID 105475556
3-[[[3-(methoxymethyl)phenyl]methylamino]methyl]oxolan-3-ol
CID 103848358
3-[(1H-pyrrol-2-ylmethylamino)methyl]oxolan-3-ol
CID 103578728
5-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]thiophene-2-carboxylic acid
CID 106102577

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzoate?
The IUPAC name of methyl 2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzoate (CID 103923800) is methyl 2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzoate.
What is the SMILES notation for methyl 2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzoate?
The canonical SMILES for methyl 2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzoate is COC(=O)c1ccccc1CNCC1(O)CCOC1.
What is the InChIKey of methyl 2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzoate?
The InChIKey is RLGCUHQQLNQONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-18-13(16)12-5-3-2-4-11(12)8-15-9-14(17)6-7-19-10-14/h2-5,15,17H,6-10H2,1H3.
What are the key properties of methyl 2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzoate?
methyl 2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzoate has a molecular weight of 265.31 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzoate is sourced from PubChem (CID 103923800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).