methyl 2-hydroxy-2-methyl-3-[(4-methyl-3-pyridinyl)methylamino]propanoate

C12H18N2O3 — CID 114955525

IUPACmethyl 2-hydroxy-2-methyl-3-[(4-methyl-3-pyridinyl)methylamino]propanoate
SMILESCOC(=O)C(C)(O)CNCc1cnccc1C
InChIInChI=1S/C12H18N2O3/c1-9-4-5-13-6-10(9)7-14-8-12(2,16)11(15)17-3/h4-6,14,16H,7-8H2,1-3H3
InChIKeyDOSRNWCVFOXAOI-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.40
Rot. Bonds5

About methyl 2-hydroxy-2-methyl-3-[(4-methyl-3-pyridinyl)methylamino]propanoate

methyl 2-hydroxy-2-methyl-3-[(4-methyl-3-pyridinyl)methylamino]propanoate (PubChem CID 114955525) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is methyl 2-hydroxy-2-methyl-3-[(4-methyl-3-pyridinyl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-methyl-3-[(4-methyl-3-pyridinyl)methylamino]propanoate
PubChem CID114955525
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Namemethyl 2-hydroxy-2-methyl-3-[(4-methyl-3-pyridinyl)methylamino]propanoate
SMILESCOC(=O)C(C)(O)CNCc1cnccc1C
InChIInChI=1S/C12H18N2O3/c1-9-4-5-13-6-10(9)7-14-8-12(2,16)11(15)17-3/h4-6,14,16H,7-8H2,1-3H3
InChIKeyDOSRNWCVFOXAOI-UHFFFAOYSA-N
XLogP0.40
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]butan-1-amine
CID 103460819
methyl 2-hydroxy-2-methyl-3-[(5-methylfuran-2-yl)methylamino]propanoate
CID 104644390
tert-butyl N-[4-[(4-methyl-3-pyridinyl)methylamino]butan-2-yl]carbamate
CID 107247056
tert-butyl N-[2-methyl-2-[(4-methyl-3-pyridinyl)methylamino]propyl]carbamate
CID 107249231
methyl 6-[[(4-methyl-3-pyridinyl)methylamino]methyl]pyridine-3-carboxylate
CID 114955599
methyl 2-hydroxy-3-[(4-methoxyphenyl)methylamino]-2-methylpropanoate
CID 104643690
tert-butyl N-[3-methyl-2-[[(4-methyl-3-pyridinyl)methylamino]methyl]butyl]carbamate
CID 107442879
5-[(4-methyl-3-pyridinyl)methylamino]pentanamide
CID 106234501
3-methyl-3-[(4-methyl-3-pyridinyl)methylamino]butanamide
CID 104580210
2-hydroxy-3-[(4-methyl-3-pyridinyl)methylamino]propanamide
CID 106171675
methyl 3-[(5-bromo-2-fluorophenyl)methylamino]-2-hydroxy-2-methylpropanoate
CID 104644127
1-(2,4-dimethylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine
CID 114954748

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-methyl-3-[(4-methyl-3-pyridinyl)methylamino]propanoate?
The IUPAC name of methyl 2-hydroxy-2-methyl-3-[(4-methyl-3-pyridinyl)methylamino]propanoate (CID 114955525) is methyl 2-hydroxy-2-methyl-3-[(4-methyl-3-pyridinyl)methylamino]propanoate.
What is the SMILES notation for methyl 2-hydroxy-2-methyl-3-[(4-methyl-3-pyridinyl)methylamino]propanoate?
The canonical SMILES for methyl 2-hydroxy-2-methyl-3-[(4-methyl-3-pyridinyl)methylamino]propanoate is COC(=O)C(C)(O)CNCc1cnccc1C.
What is the InChIKey of methyl 2-hydroxy-2-methyl-3-[(4-methyl-3-pyridinyl)methylamino]propanoate?
The InChIKey is DOSRNWCVFOXAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9-4-5-13-6-10(9)7-14-8-12(2,16)11(15)17-3/h4-6,14,16H,7-8H2,1-3H3.
What are the key properties of methyl 2-hydroxy-2-methyl-3-[(4-methyl-3-pyridinyl)methylamino]propanoate?
methyl 2-hydroxy-2-methyl-3-[(4-methyl-3-pyridinyl)methylamino]propanoate has a molecular weight of 238.29 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-methyl-3-[(4-methyl-3-pyridinyl)methylamino]propanoate is sourced from PubChem (CID 114955525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).