2-amino-3-[3-(2-hydroxyethyl)-1,2-dihydroindol-3-yl]propanoic acid

C13H18N2O3 — CID 67062782

IUPAC2-amino-3-[3-(2-hydroxyethyl)-1,2-dihydroindol-3-yl]propanoic acid
SMILESNC(CC1(CCO)CNc2ccccc21)C(=O)O
InChIInChI=1S/C13H18N2O3/c14-10(12(17)18)7-13(5-6-16)8-15-11-4-2-1-3-9(11)13/h1-4,10,15-16H,5-8,14H2,(H,17,18)
InChIKeyWZUPRLDUFPAMCP-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.53
Rot. Bonds5

About 2-amino-3-[3-(2-hydroxyethyl)-1,2-dihydroindol-3-yl]propanoic acid

2-amino-3-[3-(2-hydroxyethyl)-1,2-dihydroindol-3-yl]propanoic acid (PubChem CID 67062782) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-amino-3-[3-(2-hydroxyethyl)-1,2-dihydroindol-3-yl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[3-(2-hydroxyethyl)-1,2-dihydroindol-3-yl]propanoic acid
PubChem CID67062782
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-amino-3-[3-(2-hydroxyethyl)-1,2-dihydroindol-3-yl]propanoic acid
SMILESNC(CC1(CCO)CNc2ccccc21)C(=O)O
InChIInChI=1S/C13H18N2O3/c14-10(12(17)18)7-13(5-6-16)8-15-11-4-2-1-3-9(11)13/h1-4,10,15-16H,5-8,14H2,(H,17,18)
InChIKeyWZUPRLDUFPAMCP-UHFFFAOYSA-N
XLogP0.53
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3-(2-hydroxyethyl)-1,2-dihydroindol-3-yl]propanoic acid?
The IUPAC name of 2-amino-3-[3-(2-hydroxyethyl)-1,2-dihydroindol-3-yl]propanoic acid (CID 67062782) is 2-amino-3-[3-(2-hydroxyethyl)-1,2-dihydroindol-3-yl]propanoic acid.
What is the SMILES notation for 2-amino-3-[3-(2-hydroxyethyl)-1,2-dihydroindol-3-yl]propanoic acid?
The canonical SMILES for 2-amino-3-[3-(2-hydroxyethyl)-1,2-dihydroindol-3-yl]propanoic acid is NC(CC1(CCO)CNc2ccccc21)C(=O)O.
What is the InChIKey of 2-amino-3-[3-(2-hydroxyethyl)-1,2-dihydroindol-3-yl]propanoic acid?
The InChIKey is WZUPRLDUFPAMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c14-10(12(17)18)7-13(5-6-16)8-15-11-4-2-1-3-9(11)13/h1-4,10,15-16H,5-8,14H2,(H,17,18).
What are the key properties of 2-amino-3-[3-(2-hydroxyethyl)-1,2-dihydroindol-3-yl]propanoic acid?
2-amino-3-[3-(2-hydroxyethyl)-1,2-dihydroindol-3-yl]propanoic acid has a molecular weight of 250.30 g/mol, XLogP of 0.53, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[3-(2-hydroxyethyl)-1,2-dihydroindol-3-yl]propanoic acid is sourced from PubChem (CID 67062782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).