methyl 3-[ethyl(3-pyridin-2-ylpropanoyl)amino]propanoate

C14H20N2O3 — CID 78981122

IUPACmethyl 3-[ethyl(3-pyridin-2-ylpropanoyl)amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)CCc1ccccn1
InChIInChI=1S/C14H20N2O3/c1-3-16(11-9-14(18)19-2)13(17)8-7-12-6-4-5-10-15-12/h4-6,10H,3,7-9,11H2,1-2H3
InChIKeyZFJPONCQGRXFRS-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.43
Rot. Bonds7

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

methyl 3-[ethyl(3-pyridin-2-ylpropanoyl)amino]propanoate (PubChem CID 78981122) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 3-[ethyl(3-pyridin-2-ylpropanoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl(3-pyridin-2-ylpropanoyl)amino]propanoate
PubChem CID78981122
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 3-[ethyl(3-pyridin-2-ylpropanoyl)amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)CCc1ccccn1
InChIInChI=1S/C14H20N2O3/c1-3-16(11-9-14(18)19-2)13(17)8-7-12-6-4-5-10-15-12/h4-6,10H,3,7-9,11H2,1-2H3
InChIKeyZFJPONCQGRXFRS-UHFFFAOYSA-N
XLogP1.43
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[ethyl(2-pyridin-2-ylethylsulfonyl)amino]propanoate
CID 61011191
2-[propyl(3-pyridin-2-ylpropanoyl)amino]acetic acid
CID 114289646
methyl 2-[[4-[3-[ethyl(2-pyridin-2-ylethyl)amino]-3-oxopropyl]phenoxy]methyl]benzoate
CID 68872140
methyl 4-[methyl-(2-pyridin-2-ylacetyl)amino]butanoate
CID 55005922
1,1-diethyl-3-(2-pyridin-2-ylethyl)urea
CID 115583070
3-amino-N-ethyl-N-(pyridin-2-ylmethyl)propanamide
CID 39241658
N-ethyl-3-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106608852
N-ethyl-N-(pyridin-2-ylmethyl)-3-sulfanylpropanamide
CID 107032625
methyl 6-[bis(pyridin-2-ylmethyl)amino]hexanoate
CID 138976785
methyl 4-(2-pyridin-2-ylethylsulfamoyl)butanoate
CID 61460319
3-[[2-(diethylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)amino]propanoic acid
CID 82327071
N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyridin-2-ylpropanamide
CID 113340650

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl(3-pyridin-2-ylpropanoyl)amino]propanoate?
The IUPAC name of methyl 3-[ethyl(3-pyridin-2-ylpropanoyl)amino]propanoate (CID 78981122) is methyl 3-[ethyl(3-pyridin-2-ylpropanoyl)amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl(3-pyridin-2-ylpropanoyl)amino]propanoate?
The canonical SMILES for methyl 3-[ethyl(3-pyridin-2-ylpropanoyl)amino]propanoate is CCN(CCC(=O)OC)C(=O)CCc1ccccn1.
What is the InChIKey of methyl 3-[ethyl(3-pyridin-2-ylpropanoyl)amino]propanoate?
The InChIKey is ZFJPONCQGRXFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-16(11-9-14(18)19-2)13(17)8-7-12-6-4-5-10-15-12/h4-6,10H,3,7-9,11H2,1-2H3.
What are the key properties of methyl 3-[ethyl(3-pyridin-2-ylpropanoyl)amino]propanoate?
methyl 3-[ethyl(3-pyridin-2-ylpropanoyl)amino]propanoate has a molecular weight of 264.32 g/mol, XLogP of 1.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl(3-pyridin-2-ylpropanoyl)amino]propanoate is sourced from PubChem (CID 78981122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).