tert-butyl N-(1-aminoindol-4-yl)carbamate

C13H17N3O2 — CID 58607316

IUPACtert-butyl N-(1-aminoindol-4-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc2c1ccn2N
InChIInChI=1S/C13H17N3O2/c1-13(2,3)18-12(17)15-10-5-4-6-11-9(10)7-8-16(11)14/h4-8H,14H2,1-3H3,(H,15,17)
InChIKeyDLVCVVQPXLJZHC-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.70
Rot. Bonds1

About tert-butyl N-(1-aminoindol-4-yl)carbamate

tert-butyl N-(1-aminoindol-4-yl)carbamate (PubChem CID 58607316) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is tert-butyl N-(1-aminoindol-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-aminoindol-4-yl)carbamate
PubChem CID58607316
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Nametert-butyl N-(1-aminoindol-4-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc2c1ccn2N
InChIInChI=1S/C13H17N3O2/c1-13(2,3)18-12(17)15-10-5-4-6-11-9(10)7-8-16(11)14/h4-8H,14H2,1-3H3,(H,15,17)
InChIKeyDLVCVVQPXLJZHC-UHFFFAOYSA-N
XLogP2.70
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-(2-amino-3-methylphenyl)carbamate
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tert-butyl N-(2-hydroxyphenyl)carbamate
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2-[2-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
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tert-butyl N-(1-benzothiophen-4-yl)carbamate
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tert-butyl N-(3-chloro-1-ethylindol-4-yl)carbamate
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tert-butyl N-(2-methyl-3-sulfamoylphenyl)carbamate
CID 65142606
tert-butyl N-[3-[2-(dimethylamino)-2-oxoethyl]-2-methoxyphenyl]carbamate
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tert-butyl N-(2-oxo-1H-quinolin-5-yl)carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-aminoindol-4-yl)carbamate?
The IUPAC name of tert-butyl N-(1-aminoindol-4-yl)carbamate (CID 58607316) is tert-butyl N-(1-aminoindol-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-aminoindol-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-aminoindol-4-yl)carbamate is CC(C)(C)OC(=O)Nc1cccc2c1ccn2N.
What is the InChIKey of tert-butyl N-(1-aminoindol-4-yl)carbamate?
The InChIKey is DLVCVVQPXLJZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-13(2,3)18-12(17)15-10-5-4-6-11-9(10)7-8-16(11)14/h4-8H,14H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl N-(1-aminoindol-4-yl)carbamate?
tert-butyl N-(1-aminoindol-4-yl)carbamate has a molecular weight of 247.30 g/mol, XLogP of 2.70, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-aminoindol-4-yl)carbamate is sourced from PubChem (CID 58607316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).