2-amino-3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid;hydrochloride

C11H13ClN2O3 — CID 13393247

IUPAC2-amino-3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid;hydrochloride
SMILESCl.NC(CC1C(=O)Nc2ccccc21)C(=O)O
InChIInChI=1S/C11H12N2O3.ClH/c12-8(11(15)16)5-7-6-3-1-2-4-9(6)13-10(7)14;/h1-4,7-8H,5,12H2,(H,13,14)(H,15,16);1H
InChIKeyZYBLLQBDSSXXLP-UHFFFAOYSA-N
MW256.69 g/mol
LogP0.95
Rot. Bonds3

About 2-amino-3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid;hydrochloride

2-amino-3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid;hydrochloride (PubChem CID 13393247) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is 2-amino-3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid;hydrochloride
PubChem CID13393247
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name2-amino-3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid;hydrochloride
SMILESCl.NC(CC1C(=O)Nc2ccccc21)C(=O)O
InChIInChI=1S/C11H12N2O3.ClH/c12-8(11(15)16)5-7-6-3-1-2-4-9(6)13-10(7)14;/h1-4,7-8H,5,12H2,(H,13,14)(H,15,16);1H
InChIKeyZYBLLQBDSSXXLP-UHFFFAOYSA-N
XLogP0.95
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid;hydrochloride?
The IUPAC name of 2-amino-3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid;hydrochloride (CID 13393247) is 2-amino-3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid;hydrochloride?
The canonical SMILES for 2-amino-3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid;hydrochloride is Cl.NC(CC1C(=O)Nc2ccccc21)C(=O)O.
What is the InChIKey of 2-amino-3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid;hydrochloride?
The InChIKey is ZYBLLQBDSSXXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3.ClH/c12-8(11(15)16)5-7-6-3-1-2-4-9(6)13-10(7)14;/h1-4,7-8H,5,12H2,(H,13,14)(H,15,16);1H.
What are the key properties of 2-amino-3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid;hydrochloride?
2-amino-3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid;hydrochloride has a molecular weight of 256.69 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid;hydrochloride is sourced from PubChem (CID 13393247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).