tert-butyl 3-(1H-indol-5-ylamino)azetidine-1-carboxylate

C16H21N3O2 — CID 63303300

IUPACtert-butyl 3-(1H-indol-5-ylamino)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(Nc2ccc3[nH]ccc3c2)C1
InChIInChI=1S/C16H21N3O2/c1-16(2,3)21-15(20)19-9-13(10-19)18-12-4-5-14-11(8-12)6-7-17-14/h4-8,13,17-18H,9-10H2,1-3H3
InChIKeySKXQRFIAQHPALJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.20
Rot. Bonds2

About tert-butyl 3-(1H-indol-5-ylamino)azetidine-1-carboxylate

tert-butyl 3-(1H-indol-5-ylamino)azetidine-1-carboxylate (PubChem CID 63303300) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is tert-butyl 3-(1H-indol-5-ylamino)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1H-indol-5-ylamino)azetidine-1-carboxylate
PubChem CID63303300
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Nametert-butyl 3-(1H-indol-5-ylamino)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(Nc2ccc3[nH]ccc3c2)C1
InChIInChI=1S/C16H21N3O2/c1-16(2,3)21-15(20)19-9-13(10-19)18-12-4-5-14-11(8-12)6-7-17-14/h4-8,13,17-18H,9-10H2,1-3H3
InChIKeySKXQRFIAQHPALJ-UHFFFAOYSA-N
XLogP3.20
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-(3-iodo-4-methylanilino)azetidine-1-carboxylate
CID 63440330
4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]benzoic acid
CID 63302717
tert-butyl 3-[(4-oxo-3H-quinazolin-6-yl)amino]azetidine-1-carboxylate
CID 164870318
tert-butyl 3-[(6-fluoro-1H-indol-5-yl)oxy]azetidine-1-carboxylate
CID 176913405
tert-butyl 3-[(2-methyl-3H-benzimidazol-5-yl)amino]pyrrolidine-1-carboxylate
CID 103818698
tert-butyl 3-[4-(1H-pyrazol-5-yl)anilino]azetidine-1-carboxylate
CID 103645667
tert-butyl 3-(3,5-dichloro-4-hydroxyanilino)azetidine-1-carboxylate
CID 107678952
tert-butyl 4-[(2-methyl-3H-benzimidazol-5-yl)amino]piperidine-1-carboxylate
CID 113223911
tert-butyl (3S)-3-(4-fluoroanilino)pyrrolidine-1-carboxylate
CID 97056055
tert-butyl 3-(4-methoxyanilino)pyrrolidine-1-carboxylate
CID 11150503
tert-butyl 3-(3-hydroxy-4-methylanilino)pyrrolidine-1-carboxylate
CID 107700672
tert-butyl 4-(3H-benzimidazol-5-ylamino)piperidine-1-carboxylate
CID 22100837

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1H-indol-5-ylamino)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(1H-indol-5-ylamino)azetidine-1-carboxylate (CID 63303300) is tert-butyl 3-(1H-indol-5-ylamino)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1H-indol-5-ylamino)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1H-indol-5-ylamino)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(Nc2ccc3[nH]ccc3c2)C1.
What is the InChIKey of tert-butyl 3-(1H-indol-5-ylamino)azetidine-1-carboxylate?
The InChIKey is SKXQRFIAQHPALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-16(2,3)21-15(20)19-9-13(10-19)18-12-4-5-14-11(8-12)6-7-17-14/h4-8,13,17-18H,9-10H2,1-3H3.
What are the key properties of tert-butyl 3-(1H-indol-5-ylamino)azetidine-1-carboxylate?
tert-butyl 3-(1H-indol-5-ylamino)azetidine-1-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1H-indol-5-ylamino)azetidine-1-carboxylate is sourced from PubChem (CID 63303300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).