ethyl 2-[cyclopropyl(3-pyridin-3-ylpropanoyl)amino]acetate

C15H20N2O3 — CID 61410175

IUPACethyl 2-[cyclopropyl(3-pyridin-3-ylpropanoyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)CCc1cccnc1)C1CC1
InChIInChI=1S/C15H20N2O3/c1-2-20-15(19)11-17(13-6-7-13)14(18)8-5-12-4-3-9-16-10-12/h3-4,9-10,13H,2,5-8,11H2,1H3
InChIKeyFLQMIRVNWIGBFK-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.57
Rot. Bonds7

About ethyl 2-[cyclopropyl(3-pyridin-3-ylpropanoyl)amino]acetate

ethyl 2-[cyclopropyl(3-pyridin-3-ylpropanoyl)amino]acetate (PubChem CID 61410175) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl(3-pyridin-3-ylpropanoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl(3-pyridin-3-ylpropanoyl)amino]acetate
PubChem CID61410175
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nameethyl 2-[cyclopropyl(3-pyridin-3-ylpropanoyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)CCc1cccnc1)C1CC1
InChIInChI=1S/C15H20N2O3/c1-2-20-15(19)11-17(13-6-7-13)14(18)8-5-12-4-3-9-16-10-12/h3-4,9-10,13H,2,5-8,11H2,1H3
InChIKeyFLQMIRVNWIGBFK-UHFFFAOYSA-N
XLogP1.57
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[cyclopropyl(3-pyridin-3-ylpropanoyl)amino]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

N-(4-hydroxycyclohexyl)-N-methyl-3-pyridin-3-ylpropanamide
CID 115277440
ethyl 3-pyridin-3-ylpropanoate;hydrazine;3-pyridin-3-ylpropanehydrazide
CID 159498879
4-amino-N-cyclopropyl-N-(pyridin-3-ylmethyl)butanamide
CID 54869888
3-butylpyridine;ethyl dodecanoate;hydrobromide
CID 175058643
ethyl 4-oxo-4-(2-pyridin-3-ylethylamino)butanoate
CID 60730072
ethyl 4-(3-pyridin-3-ylpropanoylamino)piperidine-1-carboxylate
CID 31369357
ethyl 2-[3-chloropropanoyl(cyclopropyl)amino]acetate
CID 60949097
(111C)methyl 3-pyridin-3-ylpropanoate
CID 11816043
N-ethoxy-3-pyridin-3-ylpropanamide
CID 60717875
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide
CID 95903055
ethyl 2-[cyclopropyl(furan-2-carbonyl)amino]acetate
CID 54983870
ethyl 4-[benzyl(cyclopropyl)amino]-4-oxobutanoate
CID 60725115

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl(3-pyridin-3-ylpropanoyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl(3-pyridin-3-ylpropanoyl)amino]acetate (CID 61410175) is ethyl 2-[cyclopropyl(3-pyridin-3-ylpropanoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl(3-pyridin-3-ylpropanoyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl(3-pyridin-3-ylpropanoyl)amino]acetate is CCOC(=O)CN(C(=O)CCc1cccnc1)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl(3-pyridin-3-ylpropanoyl)amino]acetate?
The InChIKey is FLQMIRVNWIGBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-20-15(19)11-17(13-6-7-13)14(18)8-5-12-4-3-9-16-10-12/h3-4,9-10,13H,2,5-8,11H2,1H3.
What are the key properties of ethyl 2-[cyclopropyl(3-pyridin-3-ylpropanoyl)amino]acetate?
ethyl 2-[cyclopropyl(3-pyridin-3-ylpropanoyl)amino]acetate has a molecular weight of 276.34 g/mol, XLogP of 1.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl(3-pyridin-3-ylpropanoyl)amino]acetate is sourced from PubChem (CID 61410175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).