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

C18H30N4O4 — CID 23589407

IUPAC[1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-3-methyl-1-oxopentan-2-yl] morpholine-4-carboxylate
SMILESCCC(C)C(OC(=O)N1CCOCC1)C(=O)NC1(C#N)CCN(CC)C1
InChIInChI=1S/C18H30N4O4/c1-4-14(3)15(26-17(24)22-8-10-25-11-9-22)16(23)20-18(12-19)6-7-21(5-2)13-18/h14-15H,4-11,13H2,1-3H3,(H,20,23)
InChIKeyPWJZTHOHDJHSRZ-UHFFFAOYSA-N
MW366.46 g/mol
LogP0.97
Rot. Bonds6

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

[1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-3-methyl-1-oxopentan-2-yl] morpholine-4-carboxylate (PubChem CID 23589407) has the molecular formula C18H30N4O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is [1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-3-methyl-1-oxopentan-2-yl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-3-methyl-1-oxopentan-2-yl] morpholine-4-carboxylate
PubChem CID23589407
Molecular FormulaC18H30N4O4
Molecular Weight366.46 g/mol
Exact Mass366.23
IUPAC Name[1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-3-methyl-1-oxopentan-2-yl] morpholine-4-carboxylate
SMILESCCC(C)C(OC(=O)N1CCOCC1)C(=O)NC1(C#N)CCN(CC)C1
InChIInChI=1S/C18H30N4O4/c1-4-14(3)15(26-17(24)22-8-10-25-11-9-22)16(23)20-18(12-19)6-7-21(5-2)13-18/h14-15H,4-11,13H2,1-3H3,(H,20,23)
InChIKeyPWJZTHOHDJHSRZ-UHFFFAOYSA-N
XLogP0.97
TPSA94.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 50.97
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]-3-methyl-1-oxopentan-2-yl] morpholine-4-carboxylate?
The IUPAC name of [1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-3-methyl-1-oxopentan-2-yl] morpholine-4-carboxylate (CID 23589407) is [1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-3-methyl-1-oxopentan-2-yl] morpholine-4-carboxylate.
What is the SMILES notation for [1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-3-methyl-1-oxopentan-2-yl] morpholine-4-carboxylate?
The canonical SMILES for [1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-3-methyl-1-oxopentan-2-yl] morpholine-4-carboxylate is CCC(C)C(OC(=O)N1CCOCC1)C(=O)NC1(C#N)CCN(CC)C1.
What is the InChIKey of [1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-3-methyl-1-oxopentan-2-yl] morpholine-4-carboxylate?
The InChIKey is PWJZTHOHDJHSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O4/c1-4-14(3)15(26-17(24)22-8-10-25-11-9-22)16(23)20-18(12-19)6-7-21(5-2)13-18/h14-15H,4-11,13H2,1-3H3,(H,20,23).
What are the key properties of [1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-3-methyl-1-oxopentan-2-yl] morpholine-4-carboxylate?
[1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-3-methyl-1-oxopentan-2-yl] morpholine-4-carboxylate has a molecular weight of 366.46 g/mol, XLogP of 0.97, 6 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]-3-methyl-1-oxopentan-2-yl] morpholine-4-carboxylate is sourced from PubChem (CID 23589407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).