methyl 3-[(2-methoxy-4-pyridinyl)amino]-2,2-dimethylpropanoate

C12H18N2O3 — CID 114283843

IUPACmethyl 3-[(2-methoxy-4-pyridinyl)amino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CNc1ccnc(OC)c1
InChIInChI=1S/C12H18N2O3/c1-12(2,11(15)17-4)8-14-9-5-6-13-10(7-9)16-3/h5-7H,8H2,1-4H3,(H,13,14)
InChIKeyOWMSYLLUIWCWOM-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.70
Rot. Bonds5

About methyl 3-[(2-methoxy-4-pyridinyl)amino]-2,2-dimethylpropanoate

methyl 3-[(2-methoxy-4-pyridinyl)amino]-2,2-dimethylpropanoate (PubChem CID 114283843) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is methyl 3-[(2-methoxy-4-pyridinyl)amino]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(2-methoxy-4-pyridinyl)amino]-2,2-dimethylpropanoate
PubChem CID114283843
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Namemethyl 3-[(2-methoxy-4-pyridinyl)amino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CNc1ccnc(OC)c1
InChIInChI=1S/C12H18N2O3/c1-12(2,11(15)17-4)8-14-9-5-6-13-10(7-9)16-3/h5-7H,8H2,1-4H3,(H,13,14)
InChIKeyOWMSYLLUIWCWOM-UHFFFAOYSA-N
XLogP1.70
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-dimethylbutyl)-2-methoxypyridin-4-amine
CID 103462625
methyl 2,2-dimethyl-3-(pyridin-4-ylamino)propanoate
CID 115233602
1-(dimethylamino)-3-[(2-methoxy-4-pyridinyl)amino]-2-methylpropan-2-ol
CID 106145654
2-[(2-methoxy-4-pyridinyl)amino]ethyl carbamate
CID 83205251
2,2-diethyl-N'-(2-methoxy-4-pyridinyl)propane-1,3-diamine
CID 106252050
2-methoxy-N-(2-methoxy-4-pyridinyl)acetamide
CID 130524601
methyl 3-(4-tert-butylanilino)-2,2-dimethylpropanoate
CID 79629315
4,4-difluoropent-2-enoyl-[2-[(2-methoxy-4-pyridinyl)amino]ethyl]azanium
CID 152897798
methyl 3-(4-bromo-3-methylanilino)-2,2-dimethylpropanoate
CID 79630296
methyl 2,2-dimethyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propanoate
CID 115233592
N-[(1-aminocyclobutyl)methyl]-2-methoxypyridin-4-amine
CID 103354198
methyl 2,2-dimethyl-3-(4-methylsulfanylanilino)propanoate
CID 79629025

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-methoxy-4-pyridinyl)amino]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[(2-methoxy-4-pyridinyl)amino]-2,2-dimethylpropanoate (CID 114283843) is methyl 3-[(2-methoxy-4-pyridinyl)amino]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[(2-methoxy-4-pyridinyl)amino]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[(2-methoxy-4-pyridinyl)amino]-2,2-dimethylpropanoate is COC(=O)C(C)(C)CNc1ccnc(OC)c1.
What is the InChIKey of methyl 3-[(2-methoxy-4-pyridinyl)amino]-2,2-dimethylpropanoate?
The InChIKey is OWMSYLLUIWCWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-12(2,11(15)17-4)8-14-9-5-6-13-10(7-9)16-3/h5-7H,8H2,1-4H3,(H,13,14).
What are the key properties of methyl 3-[(2-methoxy-4-pyridinyl)amino]-2,2-dimethylpropanoate?
methyl 3-[(2-methoxy-4-pyridinyl)amino]-2,2-dimethylpropanoate has a molecular weight of 238.29 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-methoxy-4-pyridinyl)amino]-2,2-dimethylpropanoate is sourced from PubChem (CID 114283843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).