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

C15H21NO4 — CID 60993337

IUPACmethyl 2-(3-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)propanoate
SMILESCOC(=O)C(C)(NCC1CCCO1)c1cccc(O)c1
InChIInChI=1S/C15H21NO4/c1-15(14(18)19-2,11-5-3-6-12(17)9-11)16-10-13-7-4-8-20-13/h3,5-6,9,13,16-17H,4,7-8,10H2,1-2H3
InChIKeyFOWWHRAMVNKIAN-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.55
Rot. Bonds5

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

methyl 2-(3-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)propanoate (PubChem CID 60993337) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 2-(3-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(3-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)propanoate
PubChem CID60993337
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl 2-(3-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)propanoate
SMILESCOC(=O)C(C)(NCC1CCCO1)c1cccc(O)c1
InChIInChI=1S/C15H21NO4/c1-15(14(18)19-2,11-5-3-6-12(17)9-11)16-10-13-7-4-8-20-13/h3,5-6,9,13,16-17H,4,7-8,10H2,1-2H3
InChIKeyFOWWHRAMVNKIAN-UHFFFAOYSA-N
XLogP1.55
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(3-bromophenyl)-2-(oxolan-2-ylmethylamino)propanoate
CID 60993481
methyl 2-(2-methoxyphenyl)-2-(oxolan-2-ylmethylamino)propanoate
CID 60994624
methyl 2-methyl-2-[[(2S)-oxolan-2-yl]methylamino]propanoate
CID 30030904
methyl 2-(3-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetate
CID 54890052
2-(3-methoxyphenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol
CID 61050166
methyl 2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)butanoate
CID 60993623
ethyl 2-(2-chlorophenyl)-2-(oxolan-2-ylmethylamino)propanoate
CID 60993340
ethyl 2-(2-bromophenyl)-2-(oxolan-2-ylmethylamino)propanoate
CID 60993773
2-(4-ethylphenyl)-2-(oxolan-2-ylmethylamino)propanamide
CID 60996868
2-(4-ethoxyphenyl)-2-(oxolan-2-ylmethylamino)propanamide
CID 60997144
methyl N-[3-(oxolan-2-ylmethylamino)phenyl]carbamate
CID 82835955
methyl 2-(cyclopropylmethylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoate
CID 61001719

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)propanoate?
The IUPAC name of methyl 2-(3-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)propanoate (CID 60993337) is methyl 2-(3-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)propanoate.
What is the SMILES notation for methyl 2-(3-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)propanoate?
The canonical SMILES for methyl 2-(3-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)propanoate is COC(=O)C(C)(NCC1CCCO1)c1cccc(O)c1.
What is the InChIKey of methyl 2-(3-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)propanoate?
The InChIKey is FOWWHRAMVNKIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-15(14(18)19-2,11-5-3-6-12(17)9-11)16-10-13-7-4-8-20-13/h3,5-6,9,13,16-17H,4,7-8,10H2,1-2H3.
What are the key properties of methyl 2-(3-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)propanoate?
methyl 2-(3-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)propanoate has a molecular weight of 279.34 g/mol, XLogP of 1.55, 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)propanoate is sourced from PubChem (CID 60993337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).