methyl 2-[1-(3-hydroxyphenyl)ethylamino]-2-methylpropanoate

C13H19NO3 — CID 43726102

IUPACmethyl 2-[1-(3-hydroxyphenyl)ethylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(C)c1cccc(O)c1
InChIInChI=1S/C13H19NO3/c1-9(10-6-5-7-11(15)8-10)14-13(2,3)12(16)17-4/h5-9,14-15H,1-4H3
InChIKeyGPLMRYHXUJYAHI-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.99
Rot. Bonds4

About methyl 2-[1-(3-hydroxyphenyl)ethylamino]-2-methylpropanoate

methyl 2-[1-(3-hydroxyphenyl)ethylamino]-2-methylpropanoate (PubChem CID 43726102) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 2-[1-(3-hydroxyphenyl)ethylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[1-(3-hydroxyphenyl)ethylamino]-2-methylpropanoate
PubChem CID43726102
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl 2-[1-(3-hydroxyphenyl)ethylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(C)c1cccc(O)c1
InChIInChI=1S/C13H19NO3/c1-9(10-6-5-7-11(15)8-10)14-13(2,3)12(16)17-4/h5-9,14-15H,1-4H3
InChIKeyGPLMRYHXUJYAHI-UHFFFAOYSA-N
XLogP1.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-2-[1-(3-methylphenyl)ethylamino]propanoate
CID 43787172
methyl 2-[1-(4-iodophenyl)ethylamino]-2-methylpropanoate
CID 43787152
tert-butyl N-[(1R)-1-(3-hydroxyphenyl)ethyl]carbamate
CID 56955758
methyl 2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylamino]-2-methylpropanoate
CID 43725974
2-(ethylamino)-N-[1-(3-hydroxyphenyl)ethyl]-2-methylpropanamide
CID 55121666
[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 130686101
3-[1-(2,6-dibromoanilino)ethyl]phenol
CID 107597330
3-[1-(hydroxyamino)ethyl]phenol
CID 82684421
(2R)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 113353325
3-[1-[2-(4-bromophenyl)propan-2-ylamino]ethyl]phenol
CID 43740839
2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 76893024
N-tert-butyl-2-[1-(3-hydroxyphenyl)ethylamino]acetamide
CID 113293150

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(3-hydroxyphenyl)ethylamino]-2-methylpropanoate?
The IUPAC name of methyl 2-[1-(3-hydroxyphenyl)ethylamino]-2-methylpropanoate (CID 43726102) is methyl 2-[1-(3-hydroxyphenyl)ethylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[1-(3-hydroxyphenyl)ethylamino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[1-(3-hydroxyphenyl)ethylamino]-2-methylpropanoate is COC(=O)C(C)(C)NC(C)c1cccc(O)c1.
What is the InChIKey of methyl 2-[1-(3-hydroxyphenyl)ethylamino]-2-methylpropanoate?
The InChIKey is GPLMRYHXUJYAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(10-6-5-7-11(15)8-10)14-13(2,3)12(16)17-4/h5-9,14-15H,1-4H3.
What are the key properties of methyl 2-[1-(3-hydroxyphenyl)ethylamino]-2-methylpropanoate?
methyl 2-[1-(3-hydroxyphenyl)ethylamino]-2-methylpropanoate has a molecular weight of 237.30 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(3-hydroxyphenyl)ethylamino]-2-methylpropanoate is sourced from PubChem (CID 43726102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).