[1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] morpholine-4-carboxylate

C19H32N4O4 — CID 23589411

IUPAC[1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] morpholine-4-carboxylate
SMILESCCN1CCC(C#N)(NC(=O)C(CC(C)(C)C)OC(=O)N2CCOCC2)C1
InChIInChI=1S/C19H32N4O4/c1-5-22-7-6-19(13-20,14-22)21-16(24)15(12-18(2,3)4)27-17(25)23-8-10-26-11-9-23/h15H,5-12,14H2,1-4H3,(H,21,24)
InChIKeyWCZMUQGUOUSLHH-UHFFFAOYSA-N
MW380.49 g/mol
LogP1.36
Rot. Bonds5

About [1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] morpholine-4-carboxylate

[1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] morpholine-4-carboxylate (PubChem CID 23589411) has the molecular formula C19H32N4O4 and a molecular weight of 380.49 g/mol. Its IUPAC name is [1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] morpholine-4-carboxylate
PubChem CID23589411
Molecular FormulaC19H32N4O4
Molecular Weight380.49 g/mol
Exact Mass380.24
IUPAC Name[1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] morpholine-4-carboxylate
SMILESCCN1CCC(C#N)(NC(=O)C(CC(C)(C)C)OC(=O)N2CCOCC2)C1
InChIInChI=1S/C19H32N4O4/c1-5-22-7-6-19(13-20,14-22)21-16(24)15(12-18(2,3)4)27-17(25)23-8-10-26-11-9-23/h15H,5-12,14H2,1-4H3,(H,21,24)
InChIKeyWCZMUQGUOUSLHH-UHFFFAOYSA-N
XLogP1.36
TPSA94.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] morpholine-4-carboxylate?
The IUPAC name of [1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] morpholine-4-carboxylate (CID 23589411) is [1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] morpholine-4-carboxylate.
What is the SMILES notation for [1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] morpholine-4-carboxylate?
The canonical SMILES for [1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] morpholine-4-carboxylate is CCN1CCC(C#N)(NC(=O)C(CC(C)(C)C)OC(=O)N2CCOCC2)C1.
What is the InChIKey of [1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] morpholine-4-carboxylate?
The InChIKey is WCZMUQGUOUSLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O4/c1-5-22-7-6-19(13-20,14-22)21-16(24)15(12-18(2,3)4)27-17(25)23-8-10-26-11-9-23/h15H,5-12,14H2,1-4H3,(H,21,24).
What are the key properties of [1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] morpholine-4-carboxylate?
[1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] morpholine-4-carboxylate has a molecular weight of 380.49 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] morpholine-4-carboxylate is sourced from PubChem (CID 23589411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).