methyl 3-amino-2,2-dimethyl-3-(4-methyl-2-pyridinyl)propanoate

C12H18N2O2 — CID 165351369

IUPACmethyl 3-amino-2,2-dimethyl-3-(4-methyl-2-pyridinyl)propanoate
SMILESCOC(=O)C(C)(C)C(N)c1cc(C)ccn1
InChIInChI=1S/C12H18N2O2/c1-8-5-6-14-9(7-8)10(13)12(2,3)11(15)16-4/h5-7,10H,13H2,1-4H3
InChIKeyYFMNMFBRBIXVRV-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.59
Rot. Bonds3

About methyl 3-amino-2,2-dimethyl-3-(4-methyl-2-pyridinyl)propanoate

methyl 3-amino-2,2-dimethyl-3-(4-methyl-2-pyridinyl)propanoate (PubChem CID 165351369) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is methyl 3-amino-2,2-dimethyl-3-(4-methyl-2-pyridinyl)propanoate.

Molecular Properties

Compound Namemethyl 3-amino-2,2-dimethyl-3-(4-methyl-2-pyridinyl)propanoate
PubChem CID165351369
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Namemethyl 3-amino-2,2-dimethyl-3-(4-methyl-2-pyridinyl)propanoate
SMILESCOC(=O)C(C)(C)C(N)c1cc(C)ccn1
InChIInChI=1S/C12H18N2O2/c1-8-5-6-14-9(7-8)10(13)12(2,3)11(15)16-4/h5-7,10H,13H2,1-4H3
InChIKeyYFMNMFBRBIXVRV-UHFFFAOYSA-N
XLogP1.59
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3R)-3-amino-3-(2,4-dimethylphenyl)-2,2-dimethylpropanoate;hydrochloride
CID 171244026
2-amino-2-(4-methyl-2-pyridinyl)acetic acid
CID 55293255
methyl (2S)-2-amino-2-(4-methyl-2-pyridinyl)propanoate
CID 130689989
methyl (3S)-3-amino-3-(2-fluoro-5-methylphenyl)-2,2-dimethylpropanoate
CID 171241005
methyl (3R)-3-amino-3-(2-hydroxy-5-methylphenyl)-2,2-dimethylpropanoate;hydrochloride
CID 171240436
methyl (3R)-3-amino-3-(2-fluoro-4-methylphenyl)-2,2-dimethylpropanoate
CID 171247015
methyl (3R)-3-amino-3-(2-fluoro-5-methylphenyl)-2,2-dimethylpropanoate
CID 171247724
methyl 3-amino-2,2-dimethyl-4-(3-methylphenyl)butanoate
CID 54568880
methyl (3S)-3-amino-3-(2-chloro-3-pyridinyl)-2,2-dimethylpropanoate
CID 171239153
methyl (3R)-3-amino-3-(4-hydroxy-2,6-dimethylphenyl)-2,2-dimethylpropanoate
CID 171239059
methyl (3S)-3-amino-3-(2,6-dimethylphenyl)-2,2-dimethylpropanoate;hydrochloride
CID 171247825
methyl (3R)-3-amino-3-(6-chloro-3-pyridinyl)-2,2-dimethylpropanoate
CID 171240829

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2,2-dimethyl-3-(4-methyl-2-pyridinyl)propanoate?
The IUPAC name of methyl 3-amino-2,2-dimethyl-3-(4-methyl-2-pyridinyl)propanoate (CID 165351369) is methyl 3-amino-2,2-dimethyl-3-(4-methyl-2-pyridinyl)propanoate.
What is the SMILES notation for methyl 3-amino-2,2-dimethyl-3-(4-methyl-2-pyridinyl)propanoate?
The canonical SMILES for methyl 3-amino-2,2-dimethyl-3-(4-methyl-2-pyridinyl)propanoate is COC(=O)C(C)(C)C(N)c1cc(C)ccn1.
What is the InChIKey of methyl 3-amino-2,2-dimethyl-3-(4-methyl-2-pyridinyl)propanoate?
The InChIKey is YFMNMFBRBIXVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-5-6-14-9(7-8)10(13)12(2,3)11(15)16-4/h5-7,10H,13H2,1-4H3.
What are the key properties of methyl 3-amino-2,2-dimethyl-3-(4-methyl-2-pyridinyl)propanoate?
methyl 3-amino-2,2-dimethyl-3-(4-methyl-2-pyridinyl)propanoate has a molecular weight of 222.29 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2,2-dimethyl-3-(4-methyl-2-pyridinyl)propanoate is sourced from PubChem (CID 165351369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).