methyl (2S)-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoate

C12H16N2O3 — CID 47337828

IUPACmethyl (2S)-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)Cc1ccc(C)nc1
InChIInChI=1S/C12H16N2O3/c1-8-4-5-10(7-13-8)6-11(15)14-9(2)12(16)17-3/h4-5,7,9H,6H2,1-3H3,(H,14,15)/t9-/m0/s1
InChIKeyAUKGQIJBNOAOTO-VIFPVBQESA-N
MW236.27 g/mol
LogP0.61
Rot. Bonds4

About methyl (2S)-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoate

methyl (2S)-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoate (PubChem CID 47337828) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is methyl (2S)-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoate
PubChem CID47337828
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Namemethyl (2S)-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)Cc1ccc(C)nc1
InChIInChI=1S/C12H16N2O3/c1-8-4-5-10(7-13-8)6-11(15)14-9(2)12(16)17-3/h4-5,7,9H,6H2,1-3H3,(H,14,15)/t9-/m0/s1
InChIKeyAUKGQIJBNOAOTO-VIFPVBQESA-N
XLogP0.61
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2S)-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoate 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-[(2-pyridin-3-ylacetyl)amino]propanoate
CID 62690739
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 60638078
methyl 2-(aminomethyl)-3-(6-methyl-3-pyridinyl)propanoate
CID 104822729
methyl 2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 60700981
methyl 2-amino-4-(6-methyl-3-pyridinyl)butanoate
CID 175233983
ethyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
CID 62690912
N-[(2S)-3-methyl-3-phenylbutan-2-yl]-2-(6-methyl-3-pyridinyl)acetamide
CID 95294268
methyl 2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoate
CID 60645922
2-(6-methyl-3-pyridinyl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 95285831
methyl 2-[(6-methyl-3-pyridinyl)methylamino]butanoate
CID 115353361
N-[3-(aminomethyl)pentan-3-yl]-2-(6-methyl-3-pyridinyl)acetamide
CID 119571100
tert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]propanoate
CID 64687344

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoate?
The IUPAC name of methyl (2S)-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoate (CID 47337828) is methyl (2S)-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoate?
The canonical SMILES for methyl (2S)-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoate is COC(=O)[C@H](C)NC(=O)Cc1ccc(C)nc1.
What is the InChIKey of methyl (2S)-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoate?
The InChIKey is AUKGQIJBNOAOTO-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8-4-5-10(7-13-8)6-11(15)14-9(2)12(16)17-3/h4-5,7,9H,6H2,1-3H3,(H,14,15)/t9-/m0/s1.
What are the key properties of methyl (2S)-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoate?
methyl (2S)-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoate has a molecular weight of 236.27 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoate is sourced from PubChem (CID 47337828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).