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

C14H20N2O3 — CID 22492127

IUPAC2-methylpropyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
SMILESCC(C)COC(=O)C(C)NC(=O)Cc1cccnc1
InChIInChI=1S/C14H20N2O3/c1-10(2)9-19-14(18)11(3)16-13(17)7-12-5-4-6-15-8-12/h4-6,8,10-11H,7,9H2,1-3H3,(H,16,17)
InChIKeyKLILUCHUHLBFEY-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.33
Rot. Bonds6

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

2-methylpropyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate (PubChem CID 22492127) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-methylpropyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate.

Molecular Properties

Compound Name2-methylpropyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
PubChem CID22492127
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-methylpropyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
SMILESCC(C)COC(=O)C(C)NC(=O)Cc1cccnc1
InChIInChI=1S/C14H20N2O3/c1-10(2)9-19-14(18)11(3)16-13(17)7-12-5-4-6-15-8-12/h4-6,8,10-11H,7,9H2,1-3H3,(H,16,17)
InChIKeyKLILUCHUHLBFEY-UHFFFAOYSA-N
XLogP1.33
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
CID 62690912
methyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
CID 62690739
ethyl 2-(3-pyridin-3-ylpropanoylamino)propanoate
CID 61344596
N-(1-hydroxypropan-2-yl)-2-pyridin-3-ylacetamide
CID 62691061
N-(4-hydroxybutan-2-yl)-2-pyridin-3-ylacetamide
CID 115283484
3-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 55100610
3-amino-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 67329500
4-methyl-1-pyridin-3-ylpentan-2-one
CID 12999593
N-(3-aminobutyl)-2-pyridin-3-ylacetamide
CID 63253983
methyl (2S)-2-(pyridin-3-ylmethylamino)propanoate
CID 43723601
N-(1-hydroxypentan-3-yl)-2-pyridin-3-ylacetamide
CID 115767168
(2S)-2-[[2-(4-fluorophenyl)acetyl]amino]-N-(pyridin-3-ylmethyl)propanamide
CID 110347875

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate?
The IUPAC name of 2-methylpropyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate (CID 22492127) is 2-methylpropyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate.
What is the SMILES notation for 2-methylpropyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate?
The canonical SMILES for 2-methylpropyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate is CC(C)COC(=O)C(C)NC(=O)Cc1cccnc1.
What is the InChIKey of 2-methylpropyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate?
The InChIKey is KLILUCHUHLBFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(2)9-19-14(18)11(3)16-13(17)7-12-5-4-6-15-8-12/h4-6,8,10-11H,7,9H2,1-3H3,(H,16,17).
What are the key properties of 2-methylpropyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate?
2-methylpropyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate has a molecular weight of 264.32 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate is sourced from PubChem (CID 22492127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).