methyl 2-[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]acetate

C13H20N2O2 — CID 102794690

IUPACmethyl 2-[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]acetate
SMILESCOC(=O)CN(Cc1cncc(C)c1)C(C)C
InChIInChI=1S/C13H20N2O2/c1-10(2)15(9-13(16)17-4)8-12-5-11(3)6-14-7-12/h5-7,10H,8-9H2,1-4H3
InChIKeyWYACNBXQOONLNJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.77
Rot. Bonds5

About methyl 2-[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]acetate

methyl 2-[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]acetate (PubChem CID 102794690) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is methyl 2-[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]acetate
PubChem CID102794690
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Namemethyl 2-[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]acetate
SMILESCOC(=O)CN(Cc1cncc(C)c1)C(C)C
InChIInChI=1S/C13H20N2O2/c1-10(2)15(9-13(16)17-4)8-12-5-11(3)6-14-7-12/h5-7,10H,8-9H2,1-4H3
InChIKeyWYACNBXQOONLNJ-UHFFFAOYSA-N
XLogP1.77
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propan-2-ylamino]acetate
CID 80658262
3-chloro-N-[(5-methyl-3-pyridinyl)methyl]-N-propan-2-ylpropan-1-amine
CID 102878809
4-[[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]methyl]aniline
CID 102881504
methyl 2-[furan-3-ylmethyl(propan-2-yl)amino]acetate
CID 83029917
methyl 2-[propan-2-yl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate
CID 60965401
3-[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]propanimidamide
CID 102881400
3-[[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]methyl]aniline
CID 102881505
methyl 2-bromo-3-(5-methyl-3-pyridinyl)propanoate
CID 107586803
ethyl 2-[propan-2-yl(pyridin-4-ylmethyl)amino]acetate
CID 62026995
methyl 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-propan-2-ylamino]acetate
CID 62027394
methyl 2-[(5-hydroxypyridine-3-carbonyl)-propan-2-ylamino]acetate
CID 63850866
methyl 2-[(2,5-dimethylfuran-3-carbonyl)-propan-2-ylamino]acetate
CID 54942114

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]acetate (CID 102794690) is methyl 2-[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]acetate is COC(=O)CN(Cc1cncc(C)c1)C(C)C.
What is the InChIKey of methyl 2-[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]acetate?
The InChIKey is WYACNBXQOONLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(2)15(9-13(16)17-4)8-12-5-11(3)6-14-7-12/h5-7,10H,8-9H2,1-4H3.
What are the key properties of methyl 2-[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]acetate?
methyl 2-[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]acetate has a molecular weight of 236.31 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]acetate is sourced from PubChem (CID 102794690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).