methyl 2-(3-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetate

C14H19NO4 — CID 54890052

IUPACmethyl 2-(3-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetate
SMILESCOC(=O)C(NCC1CCCO1)c1cccc(O)c1
InChIInChI=1S/C14H19NO4/c1-18-14(17)13(10-4-2-5-11(16)8-10)15-9-12-6-3-7-19-12/h2,4-5,8,12-13,15-16H,3,6-7,9H2,1H3
InChIKeyQSAAPOKNFDHBSQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.37
Rot. Bonds5

About methyl 2-(3-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetate

methyl 2-(3-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetate (PubChem CID 54890052) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-(3-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(3-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetate
PubChem CID54890052
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 2-(3-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetate
SMILESCOC(=O)C(NCC1CCCO1)c1cccc(O)c1
InChIInChI=1S/C14H19NO4/c1-18-14(17)13(10-4-2-5-11(16)8-10)15-9-12-6-3-7-19-12/h2,4-5,8,12-13,15-16H,3,6-7,9H2,1H3
InChIKeyQSAAPOKNFDHBSQ-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-(3-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[3-(difluoromethyl)phenyl]-2-(oxolan-2-ylmethylamino)acetate
CID 115527064
methyl 2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetate
CID 54890054
methyl 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)acetate
CID 60994062
methyl 2-(3-bromo-4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetate
CID 60993064
methyl 2-(3-chloro-4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetate
CID 81145280
2-(4-methoxy-3-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 62133911
1-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 65378177
methyl 2-(cyclopropylmethylamino)-2-[3-(difluoromethyl)phenyl]acetate
CID 115527084
2-(3-fluoro-4-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 107686173
methyl 2-(3-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)propanoate
CID 60993337
1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 65376730
2-(3-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 19203851

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetate?
The IUPAC name of methyl 2-(3-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetate (CID 54890052) is methyl 2-(3-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetate.
What is the SMILES notation for methyl 2-(3-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetate?
The canonical SMILES for methyl 2-(3-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetate is COC(=O)C(NCC1CCCO1)c1cccc(O)c1.
What is the InChIKey of methyl 2-(3-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetate?
The InChIKey is QSAAPOKNFDHBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-18-14(17)13(10-4-2-5-11(16)8-10)15-9-12-6-3-7-19-12/h2,4-5,8,12-13,15-16H,3,6-7,9H2,1H3.
What are the key properties of methyl 2-(3-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetate?
methyl 2-(3-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetate has a molecular weight of 265.31 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetate is sourced from PubChem (CID 54890052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).