tert-butyl 3-[(R)-amino-[2-(2-hydroxyethyl)phenyl]methyl]indole-1-carboxylate

C22H26N2O3 — CID 25257746

IUPACtert-butyl 3-[(R)-amino-[2-(2-hydroxyethyl)phenyl]methyl]indole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1cc([C@H](N)c2ccccc2CCO)c2ccccc21
InChIInChI=1S/C22H26N2O3/c1-22(2,3)27-21(26)24-14-18(17-10-6-7-11-19(17)24)20(23)16-9-5-4-8-15(16)12-13-25/h4-11,14,20,25H,12-13,23H2,1-3H3/t20-/m1/s1
InChIKeyVCMIVJNUQKBHKK-HXUWFJFHSA-N
MW366.46 g/mol
LogP4.01
Rot. Bonds4

About tert-butyl 3-[(R)-amino-[2-(2-hydroxyethyl)phenyl]methyl]indole-1-carboxylate

tert-butyl 3-[(R)-amino-[2-(2-hydroxyethyl)phenyl]methyl]indole-1-carboxylate (PubChem CID 25257746) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is tert-butyl 3-[(R)-amino-[2-(2-hydroxyethyl)phenyl]methyl]indole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(R)-amino-[2-(2-hydroxyethyl)phenyl]methyl]indole-1-carboxylate
PubChem CID25257746
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Nametert-butyl 3-[(R)-amino-[2-(2-hydroxyethyl)phenyl]methyl]indole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1cc([C@H](N)c2ccccc2CCO)c2ccccc21
InChIInChI=1S/C22H26N2O3/c1-22(2,3)27-21(26)24-14-18(17-10-6-7-11-19(17)24)20(23)16-9-5-4-8-15(16)12-13-25/h4-11,14,20,25H,12-13,23H2,1-3H3/t20-/m1/s1
InChIKeyVCMIVJNUQKBHKK-HXUWFJFHSA-N
XLogP4.01
TPSA77.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-[(R)-amino-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]methyl]indole-1-carboxylate
CID 25257959
tert-butyl 3-(3-hydroxybutyl)indole-1-carboxylate
CID 135013234
dimethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanedioate
CID 102052220
tert-butyl 3-(aminomethyl)indole-1-carboxylate
CID 10999341
tert-butyl 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]indole-1-carboxylate
CID 11719273
tert-butyl 3-[(2S)-2-amino-3-(methylamino)-3-oxopropyl]indole-1-carboxylate
CID 155637501
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]butanoic acid
CID 24720875
tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethyl]indole-1-carboxylate
CID 171397275
tert-butyl 3-(2-amino-3-methoxy-3-oxopropyl)indole-1-carboxylate
CID 11267120
tert-butyl 3-(1-hydroxypentyl)indole-1-carboxylate
CID 138971903
tert-butyl 3-[(2S)-3-amino-2-methyl-3-oxopropyl]indole-1-carboxylate
CID 134493069
tert-butyl 3-[4-(4-tert-butylphenyl)-1-oxobutan-2-yl]indole-1-carboxylate
CID 129225199

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(R)-amino-[2-(2-hydroxyethyl)phenyl]methyl]indole-1-carboxylate?
The IUPAC name of tert-butyl 3-[(R)-amino-[2-(2-hydroxyethyl)phenyl]methyl]indole-1-carboxylate (CID 25257746) is tert-butyl 3-[(R)-amino-[2-(2-hydroxyethyl)phenyl]methyl]indole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(R)-amino-[2-(2-hydroxyethyl)phenyl]methyl]indole-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(R)-amino-[2-(2-hydroxyethyl)phenyl]methyl]indole-1-carboxylate is CC(C)(C)OC(=O)n1cc([C@H](N)c2ccccc2CCO)c2ccccc21.
What is the InChIKey of tert-butyl 3-[(R)-amino-[2-(2-hydroxyethyl)phenyl]methyl]indole-1-carboxylate?
The InChIKey is VCMIVJNUQKBHKK-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-22(2,3)27-21(26)24-14-18(17-10-6-7-11-19(17)24)20(23)16-9-5-4-8-15(16)12-13-25/h4-11,14,20,25H,12-13,23H2,1-3H3/t20-/m1/s1.
What are the key properties of tert-butyl 3-[(R)-amino-[2-(2-hydroxyethyl)phenyl]methyl]indole-1-carboxylate?
tert-butyl 3-[(R)-amino-[2-(2-hydroxyethyl)phenyl]methyl]indole-1-carboxylate has a molecular weight of 366.46 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(R)-amino-[2-(2-hydroxyethyl)phenyl]methyl]indole-1-carboxylate is sourced from PubChem (CID 25257746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).