tert-butyl N-[2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propyl]carbamate

C15H29N3O3 — CID 103387449

IUPACtert-butyl N-[2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NCCC(=O)N1CCCC1
InChIInChI=1S/C15H29N3O3/c1-12(11-17-14(20)21-15(2,3)4)16-8-7-13(19)18-9-5-6-10-18/h12,16H,5-11H2,1-4H3,(H,17,20)
InChIKeyVMYWBMWUGDDISH-UHFFFAOYSA-N
MW299.41 g/mol
LogP1.50
Rot. Bonds6

About tert-butyl N-[2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propyl]carbamate

tert-butyl N-[2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propyl]carbamate (PubChem CID 103387449) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is tert-butyl N-[2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propyl]carbamate
PubChem CID103387449
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Nametert-butyl N-[2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NCCC(=O)N1CCCC1
InChIInChI=1S/C15H29N3O3/c1-12(11-17-14(20)21-15(2,3)4)16-8-7-13(19)18-9-5-6-10-18/h12,16H,5-11H2,1-4H3,(H,17,20)
InChIKeyVMYWBMWUGDDISH-UHFFFAOYSA-N
XLogP1.50
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]propyl]carbamate
CID 103387657
tert-butyl N-[4-(azepan-1-yl)-4-oxobutyl]carbamate
CID 24688946
tert-butyl N-(5-oxo-5-pyrrolidin-1-ylpentyl)carbamate
CID 22027804
tert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;propane
CID 162388275
tert-butyl N-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]propyl]carbamate
CID 103390326
tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate
CID 59438683
tert-butyl N-[2-(2-methoxyethylamino)propyl]carbamate
CID 103386968
tert-butyl N-[(2R)-2-pyrrolidin-1-ylpropyl]carbamate
CID 174442745
tert-butyl N-[2-[3-(4-methylpiperazin-1-yl)propylamino]propyl]carbamate
CID 103387457
tert-butyl N-[2-(cyclopentylmethylamino)propyl]carbamate
CID 103387805
tert-butyl N-[2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propyl]carbamate
CID 103390878
4-amino-1-piperidin-1-ylpentan-1-one;tert-butyl N-(5-oxo-5-piperidin-1-ylpentan-2-yl)carbamate
CID 157280144

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propyl]carbamate (CID 103387449) is tert-butyl N-[2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propyl]carbamate is CC(CNC(=O)OC(C)(C)C)NCCC(=O)N1CCCC1.
What is the InChIKey of tert-butyl N-[2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propyl]carbamate?
The InChIKey is VMYWBMWUGDDISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-12(11-17-14(20)21-15(2,3)4)16-8-7-13(19)18-9-5-6-10-18/h12,16H,5-11H2,1-4H3,(H,17,20).
What are the key properties of tert-butyl N-[2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propyl]carbamate?
tert-butyl N-[2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propyl]carbamate has a molecular weight of 299.41 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propyl]carbamate is sourced from PubChem (CID 103387449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).