(2S)-2-amino-3-(1H-indol-3-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide;hydrochloride

C17H24ClN3O2 — CID 119957354

IUPAC(2S)-2-amino-3-(1H-indol-3-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide;hydrochloride
SMILESCC1(CNC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)CCCO1.Cl
InChIInChI=1S/C17H23N3O2.ClH/c1-17(7-4-8-22-17)11-20-16(21)14(18)9-12-10-19-15-6-3-2-5-13(12)15;/h2-3,5-6,10,14,19H,4,7-9,11,18H2,1H3,(H,20,21);1H/t14-,17?;/m0./s1
InChIKeyILFRUUQCLCHLII-CDCITTPHSA-N
MW337.85 g/mol
LogP2.14
Rot. Bonds5

About (2S)-2-amino-3-(1H-indol-3-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide;hydrochloride

(2S)-2-amino-3-(1H-indol-3-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide;hydrochloride (PubChem CID 119957354) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-indol-3-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-indol-3-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide;hydrochloride
PubChem CID119957354
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name(2S)-2-amino-3-(1H-indol-3-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide;hydrochloride
SMILESCC1(CNC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)CCCO1.Cl
InChIInChI=1S/C17H23N3O2.ClH/c1-17(7-4-8-22-17)11-20-16(21)14(18)9-12-10-19-15-6-3-2-5-13(12)15;/h2-3,5-6,10,14,19H,4,7-9,11,18H2,1H3,(H,20,21);1H/t14-,17?;/m0./s1
InChIKeyILFRUUQCLCHLII-CDCITTPHSA-N
XLogP2.14
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-(1H-indol-3-yl)-N-[(1-methylcyclopentyl)methyl]propanamide;hydrochloride
CID 119957322
(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600
(2S)-2-amino-N-(1-ethylcyclobutyl)-3-(1H-indol-3-yl)propanamide
CID 103827697
(2S)-2-amino-N-[(2,2-dimethylcyclopropyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 103827664
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956375
(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methylprop-2-enyl)propanamide
CID 104940105
2-amino-N-butyl-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 75973820
(2S)-2-amino-3-(1H-indol-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)propanamide;hydrochloride
CID 119957769
methyl 2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetate;hydrochloride
CID 91978993
(2S)-2-amino-3-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)propanamide;hydrochloride
CID 119956844
(2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
CID 104910912
(2S)-2-amino-N-(2-cyclopentylethyl)-3-(1H-indol-3-yl)propanamide
CID 119956583

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide;hydrochloride (CID 119957354) is (2S)-2-amino-3-(1H-indol-3-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-(1H-indol-3-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-(1H-indol-3-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide;hydrochloride is CC1(CNC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)CCCO1.Cl.
What is the InChIKey of (2S)-2-amino-3-(1H-indol-3-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide;hydrochloride?
The InChIKey is ILFRUUQCLCHLII-CDCITTPHSA-N. The full InChI is InChI=1S/C17H23N3O2.ClH/c1-17(7-4-8-22-17)11-20-16(21)14(18)9-12-10-19-15-6-3-2-5-13(12)15;/h2-3,5-6,10,14,19H,4,7-9,11,18H2,1H3,(H,20,21);1H/t14-,17?;/m0./s1.
What are the key properties of (2S)-2-amino-3-(1H-indol-3-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide;hydrochloride?
(2S)-2-amino-3-(1H-indol-3-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide;hydrochloride has a molecular weight of 337.85 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1H-indol-3-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 119957354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).