2-amino-3-(3H-indol-3-yl)propanoic acid

C11H12N2O2 — CID 12998164

IUPAC2-amino-3-(3H-indol-3-yl)propanoic acid
SMILESNC(CC1C=Nc2ccccc21)C(=O)O
InChIInChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6-7,9H,5,12H2,(H,14,15)
InChIKeyRDTOURARQPNLFK-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.29
Rot. Bonds3

About 2-amino-3-(3H-indol-3-yl)propanoic acid

2-amino-3-(3H-indol-3-yl)propanoic acid (PubChem CID 12998164) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-amino-3-(3H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3H-indol-3-yl)propanoic acid
PubChem CID12998164
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-amino-3-(3H-indol-3-yl)propanoic acid
SMILESNC(CC1C=Nc2ccccc21)C(=O)O
InChIInChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6-7,9H,5,12H2,(H,14,15)
InChIKeyRDTOURARQPNLFK-UHFFFAOYSA-N
XLogP1.29
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3H-indol-3-yl)propanoic acid?
The IUPAC name of 2-amino-3-(3H-indol-3-yl)propanoic acid (CID 12998164) is 2-amino-3-(3H-indol-3-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(3H-indol-3-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(3H-indol-3-yl)propanoic acid is NC(CC1C=Nc2ccccc21)C(=O)O.
What is the InChIKey of 2-amino-3-(3H-indol-3-yl)propanoic acid?
The InChIKey is RDTOURARQPNLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6-7,9H,5,12H2,(H,14,15).
What are the key properties of 2-amino-3-(3H-indol-3-yl)propanoic acid?
2-amino-3-(3H-indol-3-yl)propanoic acid has a molecular weight of 204.23 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3H-indol-3-yl)propanoic acid is sourced from PubChem (CID 12998164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).