(2S)-2-hydroxy-3-(1H-indol-3-yl)propanoate

C11H10NO3- — CID 6920148

IUPAC(2S)-2-hydroxy-3-(1H-indol-3-yl)propanoate
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)/p-1/t10-/m0/s1
InChIKeyXGILAAMKEQUXLS-JTQLQIEISA-M
MW204.21 g/mol
LogP-0.18
Rot. Bonds3

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

(2S)-2-hydroxy-3-(1H-indol-3-yl)propanoate (PubChem CID 6920148) has the molecular formula C11H10NO3- and a molecular weight of 204.21 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-(1H-indol-3-yl)propanoate
PubChem CID6920148
Molecular FormulaC11H10NO3-
Molecular Weight204.21 g/mol
Exact Mass204.07
IUPAC Name(2S)-2-hydroxy-3-(1H-indol-3-yl)propanoate
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)/p-1/t10-/m0/s1
InChIKeyXGILAAMKEQUXLS-JTQLQIEISA-M
XLogP-0.18
TPSA76.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tris((2S)-2-amino-3-(1H-indol-3-yl)propanoate);chromium(3+)
CID 172797922
2-(dihydroxyamino)-3-(1H-indol-3-yl)propanoate
CID 75107009
(2S)-2-(hydroxyamino)-3-(1H-indol-3-yl)propanoate
CID 45266744
2-(1H-indol-3-yl)ethane-1,1-diol
CID 21400411
(2S)-2-hydroxy-1-(1H-indol-3-yl)-4-methylhexan-3-one
CID 177454435
(2S)-3-(1H-indol-3-yl)-2-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
CID 7033653
1-(1H-indol-3-yl)butan-2-ylazanium acetate
CID 26411
(2S)-2-hydroxy-3-(1H-indol-3-yl)-N-methoxy-N-methylpropanamide
CID 16719604
copper;(2S)-2-amino-3-(1H-indol-3-yl)propanoate;(2S)-2-amino-3-phenylpropanoate
CID 10252147
2-(2,5-dimethylpyrrol-1-yl)-3-(1H-indol-3-yl)propanoate
CID 4518578
[1-carboxy-2-(1H-indol-3-yl)ethyl]azanium
CID 5460842
bis(3-(1H-indol-3-yl)-2-oxopropanoate);lead(2+)
CID 87710054

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-(1H-indol-3-yl)propanoate?
The IUPAC name of (2S)-2-hydroxy-3-(1H-indol-3-yl)propanoate (CID 6920148) is (2S)-2-hydroxy-3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for (2S)-2-hydroxy-3-(1H-indol-3-yl)propanoate?
The canonical SMILES for (2S)-2-hydroxy-3-(1H-indol-3-yl)propanoate is O=C([O-])[C@@H](O)Cc1c[nH]c2ccccc12.
What is the InChIKey of (2S)-2-hydroxy-3-(1H-indol-3-yl)propanoate?
The InChIKey is XGILAAMKEQUXLS-JTQLQIEISA-M. 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)/p-1/t10-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-(1H-indol-3-yl)propanoate?
(2S)-2-hydroxy-3-(1H-indol-3-yl)propanoate has a molecular weight of 204.21 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 6920148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).