tert-butyl 2-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]pyrrolidine-1-carboxylate

C15H29N3O3 — CID 107755504

IUPACtert-butyl 2-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]pyrrolidine-1-carboxylate
SMILESCCN(C)C(=O)CNCC1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H29N3O3/c1-6-17(5)13(19)11-16-10-12-8-7-9-18(12)14(20)21-15(2,3)4/h12,16H,6-11H2,1-5H3
InChIKeyKGIDKBNHNPOQKG-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.45
Rot. Bonds5

About tert-butyl 2-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]pyrrolidine-1-carboxylate

tert-butyl 2-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]pyrrolidine-1-carboxylate (PubChem CID 107755504) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is tert-butyl 2-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]pyrrolidine-1-carboxylate
PubChem CID107755504
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Nametert-butyl 2-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]pyrrolidine-1-carboxylate
SMILESCCN(C)C(=O)CNCC1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H29N3O3/c1-6-17(5)13(19)11-16-10-12-8-7-9-18(12)14(20)21-15(2,3)4/h12,16H,6-11H2,1-5H3
InChIKeyKGIDKBNHNPOQKG-UHFFFAOYSA-N
XLogP1.45
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[[2-(diethylamino)ethylamino]methyl]pyrrolidine-1-carboxylate
CID 106636392
tert-butyl 2-[(2-ethoxyethylamino)methyl]pyrrolidine-1-carboxylate
CID 106636992
tert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane
CID 166086054
tert-butyl 2-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]pyrrolidine-1-carboxylate
CID 106637822
tert-butyl 2-[[3-(diethylamino)propylamino]methyl]piperidine-1-carboxylate
CID 106632886
tert-butyl 2-[(2-hydroxypropylamino)methyl]pyrrolidine-1-carboxylate
CID 106636931
tert-butyl 2-[(prop-2-enylamino)methyl]pyrrolidine-1-carboxylate
CID 106636188
tert-butyl 2-[(piperidin-4-ylmethylamino)methyl]piperidine-1-carboxylate
CID 107246835
tert-butyl 2-[[(1-ethylcyclobutyl)amino]methyl]pyrrolidine-1-carboxylate
CID 106639392
tert-butyl 2-[[(3-amino-2,2-dimethyl-3-oxopropyl)amino]methyl]pyrrolidine-1-carboxylate
CID 106275152
tert-butyl 2-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]pyrrolidine-1-carboxylate
CID 106638538
tert-butyl 2-[(5-hydroxypentylamino)methyl]pyrrolidine-1-carboxylate
CID 107316734

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]pyrrolidine-1-carboxylate (CID 107755504) is tert-butyl 2-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]pyrrolidine-1-carboxylate is CCN(C)C(=O)CNCC1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]pyrrolidine-1-carboxylate?
The InChIKey is KGIDKBNHNPOQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-6-17(5)13(19)11-16-10-12-8-7-9-18(12)14(20)21-15(2,3)4/h12,16H,6-11H2,1-5H3.
What are the key properties of tert-butyl 2-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]pyrrolidine-1-carboxylate has a molecular weight of 299.42 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 107755504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).