[2-oxo-2-(propan-2-ylamino)ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate

C15H21N3O3 — CID 35188829

IUPAC[2-oxo-2-(propan-2-ylamino)ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
SMILESCC(C)NC(=O)COC(=O)c1cccnc1N1CCCC1
InChIInChI=1S/C15H21N3O3/c1-11(2)17-13(19)10-21-15(20)12-6-5-7-16-14(12)18-8-3-4-9-18/h5-7,11H,3-4,8-10H2,1-2H3,(H,17,19)
InChIKeyOEXYMRNNAUYVFY-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.36
Rot. Bonds5

About [2-oxo-2-(propan-2-ylamino)ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate

[2-oxo-2-(propan-2-ylamino)ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate (PubChem CID 35188829) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylamino)ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylamino)ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
PubChem CID35188829
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name[2-oxo-2-(propan-2-ylamino)ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
SMILESCC(C)NC(=O)COC(=O)c1cccnc1N1CCCC1
InChIInChI=1S/C15H21N3O3/c1-11(2)17-13(19)10-21-15(20)12-6-5-7-16-14(12)18-8-3-4-9-18/h5-7,11H,3-4,8-10H2,1-2H3,(H,17,19)
InChIKeyOEXYMRNNAUYVFY-UHFFFAOYSA-N
XLogP1.36
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(propan-2-ylamino)ethyl] 2-chloropyridine-3-carboxylate
CID 2428089
[2-(azocan-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55441256
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 27045677
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55441306
2-[[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-(3-methylbutan-2-yl)acetamide
CID 75264379
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 17419831
2-ethoxyethyl 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55569349
3-cyanopropyl 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55567831
cyclohexylmethyl 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55527421
[2-(2,5-difluorophenyl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 43056440
[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55441207
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 18157997

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate?
The IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate (CID 35188829) is [2-oxo-2-(propan-2-ylamino)ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylamino)ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate?
The canonical SMILES for [2-oxo-2-(propan-2-ylamino)ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate is CC(C)NC(=O)COC(=O)c1cccnc1N1CCCC1.
What is the InChIKey of [2-oxo-2-(propan-2-ylamino)ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate?
The InChIKey is OEXYMRNNAUYVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11(2)17-13(19)10-21-15(20)12-6-5-7-16-14(12)18-8-3-4-9-18/h5-7,11H,3-4,8-10H2,1-2H3,(H,17,19).
What are the key properties of [2-oxo-2-(propan-2-ylamino)ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate?
[2-oxo-2-(propan-2-ylamino)ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylamino)ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate is sourced from PubChem (CID 35188829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).