2-amino-N-(1H-indol-5-yl)-3-methoxypropanamide;hydrochloride

C12H16ClN3O2 — CID 120984992

IUPAC2-amino-N-(1H-indol-5-yl)-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)Nc1ccc2[nH]ccc2c1.Cl
InChIInChI=1S/C12H15N3O2.ClH/c1-17-7-10(13)12(16)15-9-2-3-11-8(6-9)4-5-14-11;/h2-6,10,14H,7,13H2,1H3,(H,15,16);1H
InChIKeyLVAAYGHGSKOYJD-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.50
Rot. Bonds4

About 2-amino-N-(1H-indol-5-yl)-3-methoxypropanamide;hydrochloride

2-amino-N-(1H-indol-5-yl)-3-methoxypropanamide;hydrochloride (PubChem CID 120984992) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-amino-N-(1H-indol-5-yl)-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(1H-indol-5-yl)-3-methoxypropanamide;hydrochloride
PubChem CID120984992
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name2-amino-N-(1H-indol-5-yl)-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)Nc1ccc2[nH]ccc2c1.Cl
InChIInChI=1S/C12H15N3O2.ClH/c1-17-7-10(13)12(16)15-9-2-3-11-8(6-9)4-5-14-11;/h2-6,10,14H,7,13H2,1H3,(H,15,16);1H
InChIKeyLVAAYGHGSKOYJD-UHFFFAOYSA-N
XLogP1.50
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(1H-indol-5-ylamino)-2-methyl-3-oxopropanoic acid
CID 114898152
N-(3-acetamidophenyl)-2-amino-3-methoxypropanamide;hydrochloride
CID 120983461
2-amino-N-(4-iodophenyl)-3-methoxypropanamide;hydrochloride
CID 120984756
2-amino-3-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1H-indol-5-yl)-3-methoxypropanamide;hydrochloride?
The IUPAC name of 2-amino-N-(1H-indol-5-yl)-3-methoxypropanamide;hydrochloride (CID 120984992) is 2-amino-N-(1H-indol-5-yl)-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(1H-indol-5-yl)-3-methoxypropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(1H-indol-5-yl)-3-methoxypropanamide;hydrochloride is COCC(N)C(=O)Nc1ccc2[nH]ccc2c1.Cl.
What is the InChIKey of 2-amino-N-(1H-indol-5-yl)-3-methoxypropanamide;hydrochloride?
The InChIKey is LVAAYGHGSKOYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2.ClH/c1-17-7-10(13)12(16)15-9-2-3-11-8(6-9)4-5-14-11;/h2-6,10,14H,7,13H2,1H3,(H,15,16);1H.
What are the key properties of 2-amino-N-(1H-indol-5-yl)-3-methoxypropanamide;hydrochloride?
2-amino-N-(1H-indol-5-yl)-3-methoxypropanamide;hydrochloride has a molecular weight of 269.73 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1H-indol-5-yl)-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 120984992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).