2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid

C11H12N2O3 — CID 144

IUPAC2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
SMILESNC(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)
InChIKeyLDCYZAJDBXYCGN-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.83
Rot. Bonds3

About 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid

2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid (PubChem CID 144) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
PubChem CID144
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
SMILESNC(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)
InChIKeyLDCYZAJDBXYCGN-UHFFFAOYSA-N
XLogP0.83
TPSA99.34 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

Oxitriptan
CID 439280
L-Tryptophan
CID 6305
Indole-3-Acetic Acid
CID 802
Serotonin
CID 5202
5-Hydroxyindoleacetic Acid
CID 1826
1H-Indole-3-propanoic acid
CID 3744
Bufotenine
CID 10257
Dl-Tryptophan
CID 1148
D-Tryptophan
CID 9060
N-Acetylserotonin
CID 903
5-Hydroxytryptophol
CID 9061
N-Acetyl-L-tryptophan
CID 700653

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid?
The IUPAC name of 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid (CID 144) is 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid is NC(Cc1c[nH]c2ccc(O)cc12)C(=O)O.
What is the InChIKey of 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid?
The InChIKey is LDCYZAJDBXYCGN-UHFFFAOYSA-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).
What are the key properties of 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid?
2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid has a molecular weight of 220.23 g/mol, XLogP of 0.83, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).