2-amino-3-(6-amino-7-hydroxy-1H-indol-3-yl)propanoic acid

C11H13N3O3 — CID 134607267

IUPAC2-amino-3-(6-amino-7-hydroxy-1H-indol-3-yl)propanoic acid
SMILESNc1ccc2c(CC(N)C(=O)O)c[nH]c2c1O
InChIInChI=1S/C11H13N3O3/c12-7-2-1-6-5(3-8(13)11(16)17)4-14-9(6)10(7)15/h1-2,4,8,14-15H,3,12-13H2,(H,16,17)
InChIKeyAGPIOLMMNWQUSU-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.41
Rot. Bonds3

About 2-amino-3-(6-amino-7-hydroxy-1H-indol-3-yl)propanoic acid

2-amino-3-(6-amino-7-hydroxy-1H-indol-3-yl)propanoic acid (PubChem CID 134607267) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-amino-3-(6-amino-7-hydroxy-1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(6-amino-7-hydroxy-1H-indol-3-yl)propanoic acid
PubChem CID134607267
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name2-amino-3-(6-amino-7-hydroxy-1H-indol-3-yl)propanoic acid
SMILESNc1ccc2c(CC(N)C(=O)O)c[nH]c2c1O
InChIInChI=1S/C11H13N3O3/c12-7-2-1-6-5(3-8(13)11(16)17)4-14-9(6)10(7)15/h1-2,4,8,14-15H,3,12-13H2,(H,16,17)
InChIKeyAGPIOLMMNWQUSU-UHFFFAOYSA-N
XLogP0.41
TPSA125.36 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-(7-methylsulfanyl-1H-indol-3-yl)propanoic acid
CID 122499498
(2S)-2-amino-3-(7-formyl-1H-indol-3-yl)propanoic acid
CID 102224703
2-amino-3-(7-methoxy-1H-indol-3-yl)propanoic acid;ethane
CID 145142398
(2S)-2-amino-3-(7-prop-2-enyl-1H-indol-3-yl)propanoic acid
CID 138470175
2-amino-3-(7-phenyl-1H-indol-3-yl)propanoic acid;ethane
CID 145142322
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
(2S)-2-amino-3-(4-amino-7-nitro-1H-indol-3-yl)propanoic acid
CID 122473852
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;manganese
CID 159424306
CID 70188356
CID 70188356
2-amino-3-(1H-indol-3-yl)propanoic acid;dihydrate
CID 86010535
2-amino-3-(1H-indol-3-yl)propanoic acid;gold
CID 175305655

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(6-amino-7-hydroxy-1H-indol-3-yl)propanoic acid?
The IUPAC name of 2-amino-3-(6-amino-7-hydroxy-1H-indol-3-yl)propanoic acid (CID 134607267) is 2-amino-3-(6-amino-7-hydroxy-1H-indol-3-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(6-amino-7-hydroxy-1H-indol-3-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(6-amino-7-hydroxy-1H-indol-3-yl)propanoic acid is Nc1ccc2c(CC(N)C(=O)O)c[nH]c2c1O.
What is the InChIKey of 2-amino-3-(6-amino-7-hydroxy-1H-indol-3-yl)propanoic acid?
The InChIKey is AGPIOLMMNWQUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c12-7-2-1-6-5(3-8(13)11(16)17)4-14-9(6)10(7)15/h1-2,4,8,14-15H,3,12-13H2,(H,16,17).
What are the key properties of 2-amino-3-(6-amino-7-hydroxy-1H-indol-3-yl)propanoic acid?
2-amino-3-(6-amino-7-hydroxy-1H-indol-3-yl)propanoic acid has a molecular weight of 235.24 g/mol, XLogP of 0.41, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(6-amino-7-hydroxy-1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 134607267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).