tert-butyl N-(5-oxo-5-pyrrolidin-1-ylpentyl)carbamate

C14H26N2O3 — CID 22027804

IUPACtert-butyl N-(5-oxo-5-pyrrolidin-1-ylpentyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCCC(=O)N1CCCC1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)19-13(18)15-9-5-4-8-12(17)16-10-6-7-11-16/h4-11H2,1-3H3,(H,15,18)
InChIKeyWAJVNOZGCYFCBJ-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.30
Rot. Bonds5

About tert-butyl N-(5-oxo-5-pyrrolidin-1-ylpentyl)carbamate

tert-butyl N-(5-oxo-5-pyrrolidin-1-ylpentyl)carbamate (PubChem CID 22027804) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl N-(5-oxo-5-pyrrolidin-1-ylpentyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-oxo-5-pyrrolidin-1-ylpentyl)carbamate
PubChem CID22027804
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl N-(5-oxo-5-pyrrolidin-1-ylpentyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCCC(=O)N1CCCC1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)19-13(18)15-9-5-4-8-12(17)16-10-6-7-11-16/h4-11H2,1-3H3,(H,15,18)
InChIKeyWAJVNOZGCYFCBJ-UHFFFAOYSA-N
XLogP2.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-(5-oxo-5-pyrrolidin-1-ylpentyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[4-(azepan-1-yl)-4-oxobutyl]carbamate
CID 24688946
tert-butyl N-(4-oxo-4-piperazin-1-ylbutyl)carbamate
CID 50986503
tert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;propane
CID 162388275
tert-butyl N-[3-[[ethylamino-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]methylidene]amino]propyl]carbamate
CID 111366229
tert-butyl N-[4-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-4-oxobutyl]carbamate
CID 55447166
tert-butyl N-[2-(azepane-1-carbonylamino)ethyl]carbamate
CID 108864437
tert-butyl N-[2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propyl]carbamate
CID 103387449
tert-butyl N-[4-(2-methylpyrrolidin-1-yl)-4-oxobutyl]carbamate
CID 67102250
tert-butyl N-[6-oxo-6-[4-(2-phenylethyl)piperazin-1-yl]hexyl]carbamate
CID 143444355
tert-butyl N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]carbamate
CID 24689329
tert-butyl N-[6-[(1-tridecanoylpiperidine-2-carbonyl)amino]hexyl]carbamate
CID 69287176
tert-butyl N-[5-[4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperazin-1-yl]pentyl]carbamate
CID 68676140

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-oxo-5-pyrrolidin-1-ylpentyl)carbamate?
The IUPAC name of tert-butyl N-(5-oxo-5-pyrrolidin-1-ylpentyl)carbamate (CID 22027804) is tert-butyl N-(5-oxo-5-pyrrolidin-1-ylpentyl)carbamate.
What is the SMILES notation for tert-butyl N-(5-oxo-5-pyrrolidin-1-ylpentyl)carbamate?
The canonical SMILES for tert-butyl N-(5-oxo-5-pyrrolidin-1-ylpentyl)carbamate is CC(C)(C)OC(=O)NCCCCC(=O)N1CCCC1.
What is the InChIKey of tert-butyl N-(5-oxo-5-pyrrolidin-1-ylpentyl)carbamate?
The InChIKey is WAJVNOZGCYFCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2,3)19-13(18)15-9-5-4-8-12(17)16-10-6-7-11-16/h4-11H2,1-3H3,(H,15,18).
What are the key properties of tert-butyl N-(5-oxo-5-pyrrolidin-1-ylpentyl)carbamate?
tert-butyl N-(5-oxo-5-pyrrolidin-1-ylpentyl)carbamate has a molecular weight of 270.37 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-oxo-5-pyrrolidin-1-ylpentyl)carbamate is sourced from PubChem (CID 22027804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).