(2S)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid

C11H11NO3 — CID 676157

IUPAC(2S)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid
SMILESO=C(O)[C@@H](O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)/t10-/m0/s1
InChIKeyXGILAAMKEQUXLS-JTQLQIEISA-N
MW205.21 g/mol
LogP1.16
Rot. Bonds3

About (2S)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid

(2S)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid (PubChem CID 676157) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid
PubChem CID676157
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name(2S)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid
SMILESO=C(O)[C@@H](O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)/t10-/m0/s1
InChIKeyXGILAAMKEQUXLS-JTQLQIEISA-N
XLogP1.16
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid (CID 676157) is (2S)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid is O=C(O)[C@@H](O)Cc1c[nH]c2ccccc12.
What is the InChIKey of (2S)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid?
The InChIKey is XGILAAMKEQUXLS-JTQLQIEISA-N. The full InChI is InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid?
(2S)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid has a molecular weight of 205.21 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 676157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).