methyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate

C11H14N2O3 — CID 62690739

IUPACmethyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)Cc1cccnc1
InChIInChI=1S/C11H14N2O3/c1-8(11(15)16-2)13-10(14)6-9-4-3-5-12-7-9/h3-5,7-8H,6H2,1-2H3,(H,13,14)
InChIKeyRSQOHWOSYXGUFZ-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.30
Rot. Bonds4

About methyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate

methyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate (PubChem CID 62690739) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
PubChem CID62690739
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Namemethyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)Cc1cccnc1
InChIInChI=1S/C11H14N2O3/c1-8(11(15)16-2)13-10(14)6-9-4-3-5-12-7-9/h3-5,7-8H,6H2,1-2H3,(H,13,14)
InChIKeyRSQOHWOSYXGUFZ-UHFFFAOYSA-N
XLogP0.30
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
CID 62690912
2-methylpropyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
CID 22492127
methyl (2S)-2-(pyridin-3-ylmethylamino)propanoate
CID 43723601
methyl (2S)-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoate
CID 47337828
N-(1-hydroxypropan-2-yl)-2-pyridin-3-ylacetamide
CID 62691061
N-(4-hydroxybutan-2-yl)-2-pyridin-3-ylacetamide
CID 115283484
ethyl 2-(3-pyridin-3-ylpropanoylamino)propanoate
CID 61344596
3-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 55100610
3-amino-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 67329500
N-(2-methoxyethyl)-2-pyridin-3-ylacetamide
CID 110697049
methyl (2S)-2-methyl-3-(pyridin-3-ylmethylamino)propanoate
CID 93035167
N-(3-aminobutyl)-2-pyridin-3-ylacetamide
CID 63253983

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate?
The IUPAC name of methyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate (CID 62690739) is methyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate?
The canonical SMILES for methyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate is COC(=O)C(C)NC(=O)Cc1cccnc1.
What is the InChIKey of methyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate?
The InChIKey is RSQOHWOSYXGUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8(11(15)16-2)13-10(14)6-9-4-3-5-12-7-9/h3-5,7-8H,6H2,1-2H3,(H,13,14).
What are the key properties of methyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate?
methyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate has a molecular weight of 222.24 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate is sourced from PubChem (CID 62690739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).