2-amino-3-(4-hydroxy-1H-indol-3-yl)propanoic acid

C11H12N2O3 — CID 589768

IUPAC2-amino-3-(4-hydroxy-1H-indol-3-yl)propanoic acid
SMILESNC(Cc1c[nH]c2cccc(O)c12)C(=O)O
InChIInChI=1S/C11H12N2O3/c12-7(11(15)16)4-6-5-13-8-2-1-3-9(14)10(6)8/h1-3,5,7,13-14H,4,12H2,(H,15,16)
InChIKeyQSHLMQDRPXXYEE-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.83
Rot. Bonds3

About 2-amino-3-(4-hydroxy-1H-indol-3-yl)propanoic acid

2-amino-3-(4-hydroxy-1H-indol-3-yl)propanoic acid (PubChem CID 589768) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-amino-3-(4-hydroxy-1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(4-hydroxy-1H-indol-3-yl)propanoic acid
PubChem CID589768
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2-amino-3-(4-hydroxy-1H-indol-3-yl)propanoic acid
SMILESNC(Cc1c[nH]c2cccc(O)c12)C(=O)O
InChIInChI=1S/C11H12N2O3/c12-7(11(15)16)4-6-5-13-8-2-1-3-9(14)10(6)8/h1-3,5,7,13-14H,4,12H2,(H,15,16)
InChIKeyQSHLMQDRPXXYEE-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

(2S)-2-amino-3-(4-(18F)fluoro-1H-indol-3-yl)propanoic acid
CID 177451224
2-amino-3-(4-amino-1H-indol-3-yl)propanoic acid;ethane
CID 145142447
2-amino-3-(4-fluoro-1H-indol-3-yl)propanoic acid;ethane
CID 145142426
2-amino-3-(4-ethynyl-1H-indol-3-yl)propanoic acid
CID 122499648
2-amino-3-[4-(trifluoromethyl)-1H-indol-3-yl]propanoic acid
CID 146451545
(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-(1H-indol-3-yl)propanoic acid;manganese
CID 159424306
CID 70188356
CID 70188356
2-amino-3-(1H-indol-3-yl)propanoic acid;gold
CID 175305655
2-amino-3-(1H-indol-3-yl)propanoic acid;dihydrate
CID 86010535
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;phenol
CID 160637775

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-hydroxy-1H-indol-3-yl)propanoic acid?
The IUPAC name of 2-amino-3-(4-hydroxy-1H-indol-3-yl)propanoic acid (CID 589768) is 2-amino-3-(4-hydroxy-1H-indol-3-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(4-hydroxy-1H-indol-3-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(4-hydroxy-1H-indol-3-yl)propanoic acid is NC(Cc1c[nH]c2cccc(O)c12)C(=O)O.
What is the InChIKey of 2-amino-3-(4-hydroxy-1H-indol-3-yl)propanoic acid?
The InChIKey is QSHLMQDRPXXYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c12-7(11(15)16)4-6-5-13-8-2-1-3-9(14)10(6)8/h1-3,5,7,13-14H,4,12H2,(H,15,16).
What are the key properties of 2-amino-3-(4-hydroxy-1H-indol-3-yl)propanoic acid?
2-amino-3-(4-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-(4-hydroxy-1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 589768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).