tert-butyl N-[1-[3-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]cyclobutyl]carbamate

C15H24N6O3 — CID 166299406

IUPACtert-butyl N-[1-[3-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(C(=O)N2CCC(c3nn[nH]n3)C2)CCC1
InChIInChI=1S/C15H24N6O3/c1-14(2,3)24-13(23)16-15(6-4-7-15)12(22)21-8-5-10(9-21)11-17-19-20-18-11/h10H,4-9H2,1-3H3,(H,16,23)(H,17,18,19,20)
InChIKeyHTGLUYIUCXASJW-UHFFFAOYSA-N
MW336.40 g/mol
LogP0.96
Rot. Bonds3

About tert-butyl N-[1-[3-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]cyclobutyl]carbamate

tert-butyl N-[1-[3-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]cyclobutyl]carbamate (PubChem CID 166299406) has the molecular formula C15H24N6O3 and a molecular weight of 336.40 g/mol. Its IUPAC name is tert-butyl N-[1-[3-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[3-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]cyclobutyl]carbamate
PubChem CID166299406
Molecular FormulaC15H24N6O3
Molecular Weight336.40 g/mol
Exact Mass336.19
IUPAC Nametert-butyl N-[1-[3-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(C(=O)N2CCC(c3nn[nH]n3)C2)CCC1
InChIInChI=1S/C15H24N6O3/c1-14(2,3)24-13(23)16-15(6-4-7-15)12(22)21-8-5-10(9-21)11-17-19-20-18-11/h10H,4-9H2,1-3H3,(H,16,23)(H,17,18,19,20)
InChIKeyHTGLUYIUCXASJW-UHFFFAOYSA-N
XLogP0.96
TPSA113.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[1-[3-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]cyclobutyl]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-[2-methyl-4-oxo-4-[3-(2H-tetrazol-5-yl)piperidin-1-yl]butan-2-yl]carbamate
CID 75387001
2-fluoro-2-methyl-1-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 167851854
2-tert-butyl-5-cyclopentyltetrazole;tert-butyl (3R)-3-(2H-tetrazol-5-yl)pyrrolidine-1-carboxylate;dichloromethane;2,2,2-trifluoroacetic acid
CID 162138299
(1-benzylcyclobutyl)-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 97328635
N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-3-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide
CID 166307982
tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(piperazine-1-carbonyl)piperidine-1-carboxylate
CID 166109885
tert-butyl N-[1-[1-(benzylcarbamoylamino)cyclopentanecarbonyl]piperidin-4-yl]carbamate
CID 55971633
tert-butyl N-[1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexanecarbonyl]cyclohexyl]carbamate
CID 174499135
tert-butyl 3-[(2H-tetrazol-5-ylmethylamino)methyl]piperidine-1-carboxylate
CID 80547209
tert-butyl N-[(3R,4S)-1-(2-cyclopentylacetyl)-3-methylpiperidin-4-yl]carbamate
CID 95775102
(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-N-[1-[(3S)-3-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]cyclopropyl]imidazo[1,2-a]imidazole-3-carboxamide
CID 42634748
tert-butyl N-[1-(3-methyl-1,4-diazepane-1-carbonyl)cyclopropyl]carbamate;4-fluoro-5-hydroxysulfanylisoquinoline
CID 143317614

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[3-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[3-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]cyclobutyl]carbamate (CID 166299406) is tert-butyl N-[1-[3-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[3-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[3-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1(C(=O)N2CCC(c3nn[nH]n3)C2)CCC1.
What is the InChIKey of tert-butyl N-[1-[3-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]cyclobutyl]carbamate?
The InChIKey is HTGLUYIUCXASJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O3/c1-14(2,3)24-13(23)16-15(6-4-7-15)12(22)21-8-5-10(9-21)11-17-19-20-18-11/h10H,4-9H2,1-3H3,(H,16,23)(H,17,18,19,20).
What are the key properties of tert-butyl N-[1-[3-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]cyclobutyl]carbamate?
tert-butyl N-[1-[3-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]cyclobutyl]carbamate has a molecular weight of 336.40 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[3-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]cyclobutyl]carbamate is sourced from PubChem (CID 166299406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).