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

C19H32N4O4 — CID 91384519

IUPAC[1-[2-cyanoethyl(pyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] morpholine-4-carboxylate
SMILESCC(C)(C)CC(OC(=O)N1CCOCC1)C(=O)N(CCC#N)C1CCNC1
InChIInChI=1S/C19H32N4O4/c1-19(2,3)13-16(27-18(25)22-9-11-26-12-10-22)17(24)23(8-4-6-20)15-5-7-21-14-15/h15-16,21H,4-5,7-14H2,1-3H3
InChIKeyWLFWJPJSOBANBS-UHFFFAOYSA-N
MW380.49 g/mol
LogP1.36
Rot. Bonds6

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

[1-[2-cyanoethyl(pyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] morpholine-4-carboxylate (PubChem CID 91384519) has the molecular formula C19H32N4O4 and a molecular weight of 380.49 g/mol. Its IUPAC name is [1-[2-cyanoethyl(pyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[1-[2-cyanoethyl(pyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] morpholine-4-carboxylate
PubChem CID91384519
Molecular FormulaC19H32N4O4
Molecular Weight380.49 g/mol
Exact Mass380.24
IUPAC Name[1-[2-cyanoethyl(pyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] morpholine-4-carboxylate
SMILESCC(C)(C)CC(OC(=O)N1CCOCC1)C(=O)N(CCC#N)C1CCNC1
InChIInChI=1S/C19H32N4O4/c1-19(2,3)13-16(27-18(25)22-9-11-26-12-10-22)17(24)23(8-4-6-20)15-5-7-21-14-15/h15-16,21H,4-5,7-14H2,1-3H3
InChIKeyWLFWJPJSOBANBS-UHFFFAOYSA-N
XLogP1.36
TPSA94.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
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

Analyze [1-[2-cyanoethyl(pyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] morpholine-4-carboxylate with MolForge

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Related Compounds

[1-[2-cyanoethyl(pyrrolidin-3-yl)amino]-3-methyl-1-oxopentan-2-yl] morpholine-4-carboxylate
CID 90998263
[1-[2-cyanoethyl(pyrrolidin-3-yl)amino]-3-naphthalen-1-yl-1-oxopropan-2-yl] morpholine-4-carboxylate
CID 90918043
[1-[(3-cyanocyclohexyl)-pyrrolidin-3-ylamino]-4-methyl-1-oxopentan-2-yl] morpholine-4-carboxylate
CID 91431017
[1-[3-cyanopropyl(piperidin-4-yl)carbamoyl]cyclohexyl] morpholine-4-carboxylate
CID 90924813
4-[ethyl(pyrrolidin-3-yl)amino]-1-morpholin-4-ylbutan-1-one
CID 63299400
ethyl N-[N-[1-[3-cyanopropyl(piperidin-4-yl)amino]-3-(4,4-dipropylcyclohexyl)-1-oxopropan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamate
CID 91148456
N-(2-cyanoethyl)-N-methyl-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63301635
2-[methyl(pyrrolidin-3-yl)amino]-1-morpholin-4-ylethanone
CID 63301630
(2S,3S)-2-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-methylpentanamide
CID 61157435
N-(2-cyanoethyl)-N-cyclopropyl-2-morpholin-2-ylacetamide
CID 66428503
[1-[(1-cyano-1-phenylmethoxyethyl)amino]-4,4-dimethyl-1-oxopentan-2-yl] morpholine-4-carboxylate
CID 68830432
[(3R)-pyrrolidin-3-yl] morpholine-4-carboxylate
CID 124511796

Frequently Asked Questions

What is the IUPAC name of [1-[2-cyanoethyl(pyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] morpholine-4-carboxylate?
The IUPAC name of [1-[2-cyanoethyl(pyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] morpholine-4-carboxylate (CID 91384519) is [1-[2-cyanoethyl(pyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] morpholine-4-carboxylate.
What is the SMILES notation for [1-[2-cyanoethyl(pyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] morpholine-4-carboxylate?
The canonical SMILES for [1-[2-cyanoethyl(pyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] morpholine-4-carboxylate is CC(C)(C)CC(OC(=O)N1CCOCC1)C(=O)N(CCC#N)C1CCNC1.
What is the InChIKey of [1-[2-cyanoethyl(pyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] morpholine-4-carboxylate?
The InChIKey is WLFWJPJSOBANBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O4/c1-19(2,3)13-16(27-18(25)22-9-11-26-12-10-22)17(24)23(8-4-6-20)15-5-7-21-14-15/h15-16,21H,4-5,7-14H2,1-3H3.
What are the key properties of [1-[2-cyanoethyl(pyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] morpholine-4-carboxylate?
[1-[2-cyanoethyl(pyrrolidin-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, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-cyanoethyl(pyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] morpholine-4-carboxylate is sourced from PubChem (CID 91384519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).