tert-butyl (2R)-2-(1H-indole-4-carbonylamino)propanoate

C16H20N2O3 — CID 80998151

IUPACtert-butyl (2R)-2-(1H-indole-4-carbonylamino)propanoate
SMILESC[C@@H](NC(=O)c1cccc2[nH]ccc12)C(=O)OC(C)(C)C
InChIInChI=1S/C16H20N2O3/c1-10(15(20)21-16(2,3)4)18-14(19)12-6-5-7-13-11(12)8-9-17-13/h5-10,17H,1-4H3,(H,18,19)/t10-/m1/s1
InChIKeyTZHGZINOOUOJIG-SNVBAGLBSA-N
MW288.35 g/mol
LogP2.63
Rot. Bonds3

About tert-butyl (2R)-2-(1H-indole-4-carbonylamino)propanoate

tert-butyl (2R)-2-(1H-indole-4-carbonylamino)propanoate (PubChem CID 80998151) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is tert-butyl (2R)-2-(1H-indole-4-carbonylamino)propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(1H-indole-4-carbonylamino)propanoate
PubChem CID80998151
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Nametert-butyl (2R)-2-(1H-indole-4-carbonylamino)propanoate
SMILESC[C@@H](NC(=O)c1cccc2[nH]ccc12)C(=O)OC(C)(C)C
InChIInChI=1S/C16H20N2O3/c1-10(15(20)21-16(2,3)4)18-14(19)12-6-5-7-13-11(12)8-9-17-13/h5-10,17H,1-4H3,(H,18,19)/t10-/m1/s1
InChIKeyTZHGZINOOUOJIG-SNVBAGLBSA-N
XLogP2.63
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(1H-indole-4-carbonylamino)propanoate?
The IUPAC name of tert-butyl (2R)-2-(1H-indole-4-carbonylamino)propanoate (CID 80998151) is tert-butyl (2R)-2-(1H-indole-4-carbonylamino)propanoate.
What is the SMILES notation for tert-butyl (2R)-2-(1H-indole-4-carbonylamino)propanoate?
The canonical SMILES for tert-butyl (2R)-2-(1H-indole-4-carbonylamino)propanoate is C[C@@H](NC(=O)c1cccc2[nH]ccc12)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-(1H-indole-4-carbonylamino)propanoate?
The InChIKey is TZHGZINOOUOJIG-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10(15(20)21-16(2,3)4)18-14(19)12-6-5-7-13-11(12)8-9-17-13/h5-10,17H,1-4H3,(H,18,19)/t10-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(1H-indole-4-carbonylamino)propanoate?
tert-butyl (2R)-2-(1H-indole-4-carbonylamino)propanoate has a molecular weight of 288.35 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(1H-indole-4-carbonylamino)propanoate is sourced from PubChem (CID 80998151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).