tert-butyl N-[4-(2-methylpyrrolidin-1-yl)-4-oxobutyl]carbamate

C14H26N2O3 — CID 67102250

IUPACtert-butyl N-[4-(2-methylpyrrolidin-1-yl)-4-oxobutyl]carbamate
SMILESCC1CCCN1C(=O)CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O3/c1-11-7-6-10-16(11)12(17)8-5-9-15-13(18)19-14(2,3)4/h11H,5-10H2,1-4H3,(H,15,18)
InChIKeyDFHQNZDARBCRIC-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.30
Rot. Bonds4

About tert-butyl N-[4-(2-methylpyrrolidin-1-yl)-4-oxobutyl]carbamate

tert-butyl N-[4-(2-methylpyrrolidin-1-yl)-4-oxobutyl]carbamate (PubChem CID 67102250) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl N-[4-(2-methylpyrrolidin-1-yl)-4-oxobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(2-methylpyrrolidin-1-yl)-4-oxobutyl]carbamate
PubChem CID67102250
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl N-[4-(2-methylpyrrolidin-1-yl)-4-oxobutyl]carbamate
SMILESCC1CCCN1C(=O)CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O3/c1-11-7-6-10-16(11)12(17)8-5-9-15-13(18)19-14(2,3)4/h11H,5-10H2,1-4H3,(H,15,18)
InChIKeyDFHQNZDARBCRIC-UHFFFAOYSA-N
XLogP2.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-[4-(2-methylpyrrolidin-1-yl)-4-oxobutyl]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-(2,4-dimethylpiperidin-1-yl)-4-oxobutyl]carbamate
CID 62330169
tert-butyl N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]carbamate;ethane;formic acid
CID 143037682
tert-butyl N-[2-[[(2R)-2-methylpiperidine-1-carbonyl]amino]ethyl]carbamate
CID 95321341
tert-butyl N-[4-(azepan-1-yl)-4-oxobutyl]carbamate
CID 24688946
tert-butyl N-[4-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-4-oxobutyl]carbamate
CID 51257063
tert-butyl N-[3-[[(2R)-1-[3-[(2R)-2-methylpyrrolidin-1-yl]-3-oxopropyl]piperidin-2-yl]methylamino]-3-oxopropyl]carbamate
CID 99786774
tert-butyl N-(5-oxo-5-pyrrolidin-1-ylpentyl)carbamate
CID 22027804
1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
CID 40599340
tert-butyl N-(4-oxo-4-piperazin-1-ylbutyl)carbamate
CID 50986503
tert-butyl N-[4-[2-[(4-methoxyphenyl)carbamoyl]pyrrolidin-1-yl]-4-oxobutyl]carbamate
CID 55966992
1-[(2S)-2-methylazepan-1-yl]-6-[(2R)-2-methylazepan-1-yl]hexane-1,6-dione
CID 97317052
tert-butyl N-[6-[(1-tridecanoylpiperidine-2-carbonyl)amino]hexyl]carbamate
CID 69287176

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(2-methylpyrrolidin-1-yl)-4-oxobutyl]carbamate?
The IUPAC name of tert-butyl N-[4-(2-methylpyrrolidin-1-yl)-4-oxobutyl]carbamate (CID 67102250) is tert-butyl N-[4-(2-methylpyrrolidin-1-yl)-4-oxobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(2-methylpyrrolidin-1-yl)-4-oxobutyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(2-methylpyrrolidin-1-yl)-4-oxobutyl]carbamate is CC1CCCN1C(=O)CCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-(2-methylpyrrolidin-1-yl)-4-oxobutyl]carbamate?
The InChIKey is DFHQNZDARBCRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-11-7-6-10-16(11)12(17)8-5-9-15-13(18)19-14(2,3)4/h11H,5-10H2,1-4H3,(H,15,18).
What are the key properties of tert-butyl N-[4-(2-methylpyrrolidin-1-yl)-4-oxobutyl]carbamate?
tert-butyl N-[4-(2-methylpyrrolidin-1-yl)-4-oxobutyl]carbamate has a molecular weight of 270.37 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(2-methylpyrrolidin-1-yl)-4-oxobutyl]carbamate is sourced from PubChem (CID 67102250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).