(2R)-2-amino-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]propanamide;hydrochloride

C14H20ClN3O2 — CID 119317931

IUPAC(2R)-2-amino-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]propanamide;hydrochloride
SMILESCC(NC(=O)[C@@H](C)N)c1ccc2c(c1)CC(=O)N2C.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-8(15)14(19)16-9(2)10-4-5-12-11(6-10)7-13(18)17(12)3;/h4-6,8-9H,7,15H2,1-3H3,(H,16,19);1H/t8-,9?;/m1./s1
InChIKeyMAZFUGLPGOPLOK-URIXSHMWSA-N
MW297.79 g/mol
LogP1.15
Rot. Bonds3

About (2R)-2-amino-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]propanamide;hydrochloride

(2R)-2-amino-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]propanamide;hydrochloride (PubChem CID 119317931) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]propanamide;hydrochloride
PubChem CID119317931
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name(2R)-2-amino-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]propanamide;hydrochloride
SMILESCC(NC(=O)[C@@H](C)N)c1ccc2c(c1)CC(=O)N2C.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-8(15)14(19)16-9(2)10-4-5-12-11(6-10)7-13(18)17(12)3;/h4-6,8-9H,7,15H2,1-3H3,(H,16,19);1H/t8-,9?;/m1./s1
InChIKeyMAZFUGLPGOPLOK-URIXSHMWSA-N
XLogP1.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-2-(oxan-4-yl)acetamide
CID 120792108
5-(1-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 61087220
2-amino-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 116850751
5-(1-amino-2-hydroxypropyl)-1-methyl-3H-indol-2-one
CID 116859553
5-[(1R)-1-hydroxyethyl]-1-methyl-3H-indol-2-one
CID 82758338
(2S,5R)-5-(aminomethyl)-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120792105
N'-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide
CID 116847020
3-(1-methyl-2-oxo-3H-indol-5-yl)butanoic acid
CID 82116151
3-amino-3-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide
CID 116848766
5-(1-chloroethyl)-1-methyl-3H-indol-2-one
CID 61084186
5-[1-amino-2-(methylamino)ethyl]-1-methyl-3H-indol-2-one
CID 116932459
(2R)-2-amino-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 54995740

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]propanamide;hydrochloride (CID 119317931) is (2R)-2-amino-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]propanamide;hydrochloride is CC(NC(=O)[C@@H](C)N)c1ccc2c(c1)CC(=O)N2C.Cl.
What is the InChIKey of (2R)-2-amino-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]propanamide;hydrochloride?
The InChIKey is MAZFUGLPGOPLOK-URIXSHMWSA-N. The full InChI is InChI=1S/C14H19N3O2.ClH/c1-8(15)14(19)16-9(2)10-4-5-12-11(6-10)7-13(18)17(12)3;/h4-6,8-9H,7,15H2,1-3H3,(H,16,19);1H/t8-,9?;/m1./s1.
What are the key properties of (2R)-2-amino-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]propanamide;hydrochloride?
(2R)-2-amino-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]propanamide;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119317931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).