(+-)-5-Hydroxytryptophan

C11H12N2O3 — CID 144

IUPAC2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
SMILESC1=CC2=C(C=C1O)C(=CN2)CC(C(=O)O)N
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
MW220.22 g/mol
LogP-1.20
Rot. Bonds3

About (+-)-5-Hydroxytryptophan

(+-)-5-Hydroxytryptophan (PubChem CID 144) has the molecular formula C11H12N2O3 and a molecular weight of 220.22 g/mol. Its IUPAC name is 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name(+-)-5-Hydroxytryptophan
PubChem CID144
Molecular FormulaC11H12N2O3
Molecular Weight220.22 g/mol
Exact Mass220.08
IUPAC Name2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
SMILESC1=CC2=C(C=C1O)C(=CN2)CC(C(=O)O)N
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
XLogP-1.20
TPSA99.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity272

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-1.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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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 (+-)-5-Hydroxytryptophan?
The IUPAC name of (+-)-5-Hydroxytryptophan (CID 144) is 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid.
What is the SMILES notation for (+-)-5-Hydroxytryptophan?
The canonical SMILES for (+-)-5-Hydroxytryptophan is C1=CC2=C(C=C1O)C(=CN2)CC(C(=O)O)N.
What is the InChIKey of (+-)-5-Hydroxytryptophan?
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 (+-)-5-Hydroxytryptophan?
(+-)-5-Hydroxytryptophan has a molecular weight of 220.22 g/mol, XLogP of -1.20, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (+-)-5-Hydroxytryptophan is sourced from PubChem (CID 144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).