tert-butyl N-[2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethyl]carbamate

C14H27N3O3 — CID 115607353

IUPACtert-butyl N-[2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethyl]carbamate
SMILESCC(CN1CCCC1=O)NCCNC(=O)OC(C)(C)C
InChIInChI=1S/C14H27N3O3/c1-11(10-17-9-5-6-12(17)18)15-7-8-16-13(19)20-14(2,3)4/h11,15H,5-10H2,1-4H3,(H,16,19)
InChIKeyZYANQRRVSWVXAW-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.11
Rot. Bonds6

About tert-butyl N-[2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethyl]carbamate

tert-butyl N-[2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethyl]carbamate (PubChem CID 115607353) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethyl]carbamate
PubChem CID115607353
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Nametert-butyl N-[2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethyl]carbamate
SMILESCC(CN1CCCC1=O)NCCNC(=O)OC(C)(C)C
InChIInChI=1S/C14H27N3O3/c1-11(10-17-9-5-6-12(17)18)15-7-8-16-13(19)20-14(2,3)4/h11,15H,5-10H2,1-4H3,(H,16,19)
InChIKeyZYANQRRVSWVXAW-UHFFFAOYSA-N
XLogP1.11
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate
CID 63789574
tert-butyl N-[2-(propan-2-ylamino)ethyl]carbamate
CID 16743802
1-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]pyrrolidin-2-one
CID 81411750
tert-butyl N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]ethyl]carbamate
CID 114985484
1-[2-(2,2-dimethoxyethylamino)propyl]pyrrolidin-2-one
CID 63696542
tert-butyl N-[2-[[N-ethyl-N'-[3-(2-oxopyrrolidin-1-yl)propyl]carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111147545
1-[2-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]pyrrolidin-2-one
CID 54865922
1-[2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propyl]pyrrolidin-2-one
CID 81418600
1-[2-[(2,4,6-trimethylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 60936524
1-[2-[(2,5-dimethylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 60961488
phenyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate
CID 61069095
tert-butyl N-[1-[(2S)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]piperidin-3-yl]carbamate
CID 122155596

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethyl]carbamate (CID 115607353) is tert-butyl N-[2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethyl]carbamate is CC(CN1CCCC1=O)NCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethyl]carbamate?
The InChIKey is ZYANQRRVSWVXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-11(10-17-9-5-6-12(17)18)15-7-8-16-13(19)20-14(2,3)4/h11,15H,5-10H2,1-4H3,(H,16,19).
What are the key properties of tert-butyl N-[2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethyl]carbamate?
tert-butyl N-[2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethyl]carbamate has a molecular weight of 285.39 g/mol, XLogP of 1.11, 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-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethyl]carbamate is sourced from PubChem (CID 115607353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).