tert-butyl 1-butyl-4-carbamoylpyrrolidine-2-carboxylate

C14H26N2O3 — CID 141022390

IUPACtert-butyl 1-butyl-4-carbamoylpyrrolidine-2-carboxylate
SMILESCCCCN1CC(C(N)=O)CC1C(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O3/c1-5-6-7-16-9-10(12(15)17)8-11(16)13(18)19-14(2,3)4/h10-11H,5-9H2,1-4H3,(H2,15,17)
InChIKeyBEDMADBCIXXVSX-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.30
Rot. Bonds5

About tert-butyl 1-butyl-4-carbamoylpyrrolidine-2-carboxylate

tert-butyl 1-butyl-4-carbamoylpyrrolidine-2-carboxylate (PubChem CID 141022390) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl 1-butyl-4-carbamoylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-butyl-4-carbamoylpyrrolidine-2-carboxylate
PubChem CID141022390
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl 1-butyl-4-carbamoylpyrrolidine-2-carboxylate
SMILESCCCCN1CC(C(N)=O)CC1C(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O3/c1-5-6-7-16-9-10(12(15)17)8-11(16)13(18)19-14(2,3)4/h10-11H,5-9H2,1-4H3,(H2,15,17)
InChIKeyBEDMADBCIXXVSX-UHFFFAOYSA-N
XLogP1.30
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 1-butyl-4-carbamoylpyrrolidine-2-carboxylate 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 4-(hydroxymethyl)-1-pentylpyrrolidine-2-carboxylate
CID 141022494
tert-butyl (2S)-1-butylpyrrolidine-2-carboxylate
CID 81002235
4-ethoxycarbonyl-1-pentylpyrrolidine-2-carboxylic acid
CID 154511089
tert-butyl (2R)-1-nonylpyrrolidine-2-carboxylate
CID 115537600
ethyl 1-butyl-4-(2,2-difluoroethenyl)pyrrolidine-2-carboxylate
CID 152686010
tert-butyl 1-propylpyrrolidine-2-carboxylate
CID 23383587
1-butylaziridine-2-carboxylic acid
CID 11643985
1-O-butyl 4-O-tert-butyl cyclohexane-1,4-dicarboxylate
CID 66984653
tert-butyl 1-(ethoxymethyl)aziridine-2-carboxylate
CID 11356127
methyl 1-decyl-4-hydroxypyrrolidine-2-carboxylate
CID 115971596
tert-butyl 4-pentylpiperazine-2-carboxylate
CID 175344444
tert-butyl (2S)-1-[(2R)-2-[2-oxo-2-(2,2,2-trichloroethoxy)ethyl]heptanoyl]pyrrolidine-2-carboxylate
CID 10766846

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-butyl-4-carbamoylpyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl 1-butyl-4-carbamoylpyrrolidine-2-carboxylate (CID 141022390) is tert-butyl 1-butyl-4-carbamoylpyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl 1-butyl-4-carbamoylpyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl 1-butyl-4-carbamoylpyrrolidine-2-carboxylate is CCCCN1CC(C(N)=O)CC1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 1-butyl-4-carbamoylpyrrolidine-2-carboxylate?
The InChIKey is BEDMADBCIXXVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-6-7-16-9-10(12(15)17)8-11(16)13(18)19-14(2,3)4/h10-11H,5-9H2,1-4H3,(H2,15,17).
What are the key properties of tert-butyl 1-butyl-4-carbamoylpyrrolidine-2-carboxylate?
tert-butyl 1-butyl-4-carbamoylpyrrolidine-2-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-butyl-4-carbamoylpyrrolidine-2-carboxylate is sourced from PubChem (CID 141022390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).