(2S)-2-amino-3-(1H-indol-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)propanamide;hydrochloride

C18H26ClN3O — CID 119957769

IUPAC(2S)-2-amino-3-(1H-indol-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)propanamide;hydrochloride
SMILESCC1(C(C1(C)C)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)N)C.Cl
InChIInChI=1S/C18H25N3O.ClH/c1-17(2)16(18(17,3)4)21-15(22)13(19)9-11-10-20-14-8-6-5-7-12(11)14;/h5-8,10,13,16,20H,9,19H2,1-4H3,(H,21,22);1H/t13-;/m0./s1
InChIKeyPETXEAOOWROOJC-ZOWNYOTGSA-N
MW335.90 g/mol
LogP—
Rot. Bonds4

About (2S)-2-amino-3-(1H-indol-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)propanamide;hydrochloride

(2S)-2-amino-3-(1H-indol-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)propanamide;hydrochloride (PubChem CID 119957769) has the molecular formula C18H26ClN3O and a molecular weight of 335.90 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-indol-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-indol-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)propanamide;hydrochloride
PubChem CID119957769
Molecular FormulaC18H26ClN3O
Molecular Weight335.90 g/mol
Exact Mass335.18
IUPAC Name(2S)-2-amino-3-(1H-indol-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)propanamide;hydrochloride
SMILESCC1(C(C1(C)C)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)N)C.Cl
InChIInChI=1S/C18H25N3O.ClH/c1-17(2)16(18(17,3)4)21-15(22)13(19)9-11-10-20-14-8-6-5-7-12(11)14;/h5-8,10,13,16,20H,9,19H2,1-4H3,(H,21,22);1H/t13-;/m0./s1
InChIKeyPETXEAOOWROOJC-ZOWNYOTGSA-N
XLogP—
TPSA70.90 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity432

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

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Alpha-Ethyltryptamine
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CID 2002
Anamorelin
CID 9828911
Pralmorelin
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Macimorelin
CID 9804938
Valyltryptophan
CID 168182
Indole-3-acetamide
CID 397
N-Acetyltryptamine
CID 70547

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)propanamide;hydrochloride (CID 119957769) is (2S)-2-amino-3-(1H-indol-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-(1H-indol-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-(1H-indol-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)propanamide;hydrochloride is CC1(C(C1(C)C)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)N)C.Cl.
What is the InChIKey of (2S)-2-amino-3-(1H-indol-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)propanamide;hydrochloride?
The InChIKey is PETXEAOOWROOJC-ZOWNYOTGSA-N. The full InChI is InChI=1S/C18H25N3O.ClH/c1-17(2)16(18(17,3)4)21-15(22)13(19)9-11-10-20-14-8-6-5-7-12(11)14;/h5-8,10,13,16,20H,9,19H2,1-4H3,(H,21,22);1H/t13-;/m0./s1.
What are the key properties of (2S)-2-amino-3-(1H-indol-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)propanamide;hydrochloride?
(2S)-2-amino-3-(1H-indol-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)propanamide;hydrochloride has a molecular weight of 335.90 g/mol, XLogP of not available, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1H-indol-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)propanamide;hydrochloride is sourced from PubChem (CID 119957769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).