(2S)-2-azaniumyl-3-(5-hydroxy-1H-indol-3-yl)propanoate

C11H12N2O3 — CID 6971044

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IUPAC(2S)-2-azaniumyl-3-(5-hydroxy-1H-indol-3-yl)propanoate
SMILES[NH3+][C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)[O-]
InChIInChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1
InChIKeyLDCYZAJDBXYCGN-VIFPVBQESA-N
MW220.23 g/mol
LogP-1.22
Rot. Bonds3

About (2S)-2-azaniumyl-3-(5-hydroxy-1H-indol-3-yl)propanoate

(2S)-2-azaniumyl-3-(5-hydroxy-1H-indol-3-yl)propanoate (PubChem CID 6971044) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is (2S)-2-azaniumyl-3-(5-hydroxy-1H-indol-3-yl)propanoate.

Molecular Properties

Compound Name(2S)-2-azaniumyl-3-(5-hydroxy-1H-indol-3-yl)propanoate
PubChem CID6971044
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name(2S)-2-azaniumyl-3-(5-hydroxy-1H-indol-3-yl)propanoate
SMILES[NH3+][C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)[O-]
InChIInChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1
InChIKeyLDCYZAJDBXYCGN-VIFPVBQESA-N
XLogP-1.22
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-azaniumyl-3-(5-hydroxy-1H-indol-3-yl)propanoate?
The IUPAC name of (2S)-2-azaniumyl-3-(5-hydroxy-1H-indol-3-yl)propanoate (CID 6971044) is (2S)-2-azaniumyl-3-(5-hydroxy-1H-indol-3-yl)propanoate.
What is the SMILES notation for (2S)-2-azaniumyl-3-(5-hydroxy-1H-indol-3-yl)propanoate?
The canonical SMILES for (2S)-2-azaniumyl-3-(5-hydroxy-1H-indol-3-yl)propanoate is [NH3+][C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)[O-].
What is the InChIKey of (2S)-2-azaniumyl-3-(5-hydroxy-1H-indol-3-yl)propanoate?
The InChIKey is LDCYZAJDBXYCGN-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-2-azaniumyl-3-(5-hydroxy-1H-indol-3-yl)propanoate?
(2S)-2-azaniumyl-3-(5-hydroxy-1H-indol-3-yl)propanoate has a molecular weight of 220.23 g/mol, XLogP of -1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-azaniumyl-3-(5-hydroxy-1H-indol-3-yl)propanoate is sourced from PubChem (CID 6971044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).