tert-butyl N-[3-(4-amino-2-oxopyrrolidin-1-yl)propyl]carbamate

C12H23N3O3 — CID 168699074

IUPACtert-butyl N-[3-(4-amino-2-oxopyrrolidin-1-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCN1CC(N)CC1=O
InChIInChI=1S/C12H23N3O3/c1-12(2,3)18-11(17)14-5-4-6-15-8-9(13)7-10(15)16/h9H,4-8,13H2,1-3H3,(H,14,17)
InChIKeyVITNHBUMQYZLNH-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.46
Rot. Bonds4

About tert-butyl N-[3-(4-amino-2-oxopyrrolidin-1-yl)propyl]carbamate

tert-butyl N-[3-(4-amino-2-oxopyrrolidin-1-yl)propyl]carbamate (PubChem CID 168699074) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is tert-butyl N-[3-(4-amino-2-oxopyrrolidin-1-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(4-amino-2-oxopyrrolidin-1-yl)propyl]carbamate
PubChem CID168699074
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Nametert-butyl N-[3-(4-amino-2-oxopyrrolidin-1-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCN1CC(N)CC1=O
InChIInChI=1S/C12H23N3O3/c1-12(2,3)18-11(17)14-5-4-6-15-8-9(13)7-10(15)16/h9H,4-8,13H2,1-3H3,(H,14,17)
InChIKeyVITNHBUMQYZLNH-UHFFFAOYSA-N
XLogP0.46
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.46
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-[6-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]hexyl]carbamate
CID 168503582
S-[1-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]-5-oxopyrrolidin-3-yl] ethanethioate
CID 168704654
tert-butyl 3-[2-(4-amino-2-oxopyrrolidin-1-yl)ethyl]azetidine-1-carboxylate
CID 168699063
tert-butyl N-[2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]ethyl]carbamate
CID 168655854
5-(4-amino-2-oxopyrrolidin-1-yl)pentanoic acid
CID 168700114
tert-butyl N-[2-[2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]ethyldisulfanyl]ethyl]carbamate
CID 168506907
4-amino-1-(7-aminoheptyl)pyrrolidin-2-one
CID 168700119
1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyldisulfanyl]ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690443
tert-butyl N-[2-(3-amino-2-oxopyrrolidin-1-yl)ethyl]carbamate
CID 171538458
tert-butyl N-[3-(4-carbonochloridoyl-2,3-dioxopiperazin-1-yl)propyl]carbamate
CID 153367840
methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-5-oxopyrrolidine-2-carboxylate
CID 153361350
tert-butyl N-[2-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)ethyl]carbamate
CID 117274207

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(4-amino-2-oxopyrrolidin-1-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-(4-amino-2-oxopyrrolidin-1-yl)propyl]carbamate (CID 168699074) is tert-butyl N-[3-(4-amino-2-oxopyrrolidin-1-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(4-amino-2-oxopyrrolidin-1-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(4-amino-2-oxopyrrolidin-1-yl)propyl]carbamate is CC(C)(C)OC(=O)NCCCN1CC(N)CC1=O.
What is the InChIKey of tert-butyl N-[3-(4-amino-2-oxopyrrolidin-1-yl)propyl]carbamate?
The InChIKey is VITNHBUMQYZLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-12(2,3)18-11(17)14-5-4-6-15-8-9(13)7-10(15)16/h9H,4-8,13H2,1-3H3,(H,14,17).
What are the key properties of tert-butyl N-[3-(4-amino-2-oxopyrrolidin-1-yl)propyl]carbamate?
tert-butyl N-[3-(4-amino-2-oxopyrrolidin-1-yl)propyl]carbamate has a molecular weight of 257.33 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(4-amino-2-oxopyrrolidin-1-yl)propyl]carbamate is sourced from PubChem (CID 168699074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).