tert-butyl N-[(2S)-2-amino-2-(4-hydroxy-1H-indol-5-yl)ethyl]carbamate

C15H21N3O3 — CID 97056526

IUPACtert-butyl N-[(2S)-2-amino-2-(4-hydroxy-1H-indol-5-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H](N)c1ccc2[nH]ccc2c1O
InChIInChI=1S/C15H21N3O3/c1-15(2,3)21-14(20)18-8-11(16)9-4-5-12-10(13(9)19)6-7-17-12/h4-7,11,17,19H,8,16H2,1-3H3,(H,18,20)/t11-/m1/s1
InChIKeyMJLVYSAKLJAXHL-LLVKDONJSA-N
MW291.35 g/mol
LogP2.40
Rot. Bonds3

About tert-butyl N-[(2S)-2-amino-2-(4-hydroxy-1H-indol-5-yl)ethyl]carbamate

tert-butyl N-[(2S)-2-amino-2-(4-hydroxy-1H-indol-5-yl)ethyl]carbamate (PubChem CID 97056526) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2-amino-2-(4-hydroxy-1H-indol-5-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2-amino-2-(4-hydroxy-1H-indol-5-yl)ethyl]carbamate
PubChem CID97056526
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Nametert-butyl N-[(2S)-2-amino-2-(4-hydroxy-1H-indol-5-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H](N)c1ccc2[nH]ccc2c1O
InChIInChI=1S/C15H21N3O3/c1-15(2,3)21-14(20)18-8-11(16)9-4-5-12-10(13(9)19)6-7-17-12/h4-7,11,17,19H,8,16H2,1-3H3,(H,18,20)/t11-/m1/s1
InChIKeyMJLVYSAKLJAXHL-LLVKDONJSA-N
XLogP2.40
TPSA100.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze tert-butyl N-[(2S)-2-amino-2-(4-hydroxy-1H-indol-5-yl)ethyl]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-[(2R)-2-amino-2-(2-chlorophenyl)ethyl]carbamate
CID 51601253
tert-butyl N-[2-amino-2-(2,4-difluorophenyl)ethyl]carbamate;hydrochloride
CID 76853764
(3S)-3-amino-3-(4-hydroxy-1H-indol-5-yl)propanenitrile
CID 97056546
5-(1-aminobut-3-enyl)-1H-indol-4-ol
CID 76848376
tert-butyl N-[(2S)-2-(6-hydroxy-1H-indol-3-yl)propyl]carbamate
CID 70246888
tert-butyl N-[(2R)-2-amino-3-oxobutyl]carbamate
CID 170234011
methyl 4-[(1R)-1-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoate
CID 51601300
tert-butyl N-(2-amino-2-pyrimidin-5-ylethyl)carbamate
CID 76845177
tert-butyl N-[(2R)-2-amino-2-pyrimidin-5-ylethyl]carbamate
CID 99905265
tert-butyl N-[(2S)-2-amino-2-(3-iodophenyl)ethyl]carbamate
CID 99909259
tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
tert-butyl N-[(2R)-2-amino-2-(2,6-dimethoxyphenyl)ethyl]carbamate
CID 99909254

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2-amino-2-(4-hydroxy-1H-indol-5-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-2-amino-2-(4-hydroxy-1H-indol-5-yl)ethyl]carbamate (CID 97056526) is tert-butyl N-[(2S)-2-amino-2-(4-hydroxy-1H-indol-5-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2-amino-2-(4-hydroxy-1H-indol-5-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-2-amino-2-(4-hydroxy-1H-indol-5-yl)ethyl]carbamate is CC(C)(C)OC(=O)NC[C@@H](N)c1ccc2[nH]ccc2c1O.
What is the InChIKey of tert-butyl N-[(2S)-2-amino-2-(4-hydroxy-1H-indol-5-yl)ethyl]carbamate?
The InChIKey is MJLVYSAKLJAXHL-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-15(2,3)21-14(20)18-8-11(16)9-4-5-12-10(13(9)19)6-7-17-12/h4-7,11,17,19H,8,16H2,1-3H3,(H,18,20)/t11-/m1/s1.
What are the key properties of tert-butyl N-[(2S)-2-amino-2-(4-hydroxy-1H-indol-5-yl)ethyl]carbamate?
tert-butyl N-[(2S)-2-amino-2-(4-hydroxy-1H-indol-5-yl)ethyl]carbamate has a molecular weight of 291.35 g/mol, XLogP of 2.40, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2-amino-2-(4-hydroxy-1H-indol-5-yl)ethyl]carbamate is sourced from PubChem (CID 97056526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).