2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid

C14H19N3O4 — CID 19078905

IUPAC2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid
SMILESCC(N)C(=O)O.NC(Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C11H12N2O2.C3H7NO2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;1-2(4)3(5)6/h1-4,6,9,13H,5,12H2,(H,14,15);2H,4H2,1H3,(H,5,6)
InChIKeyOZWJUMUCYLLJQQ-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.54
Rot. Bonds4

About 2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid

2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid (PubChem CID 19078905) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid.

Molecular Properties

Compound Name2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid
PubChem CID19078905
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid
SMILESCC(N)C(=O)O.NC(Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C11H12N2O2.C3H7NO2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;1-2(4)3(5)6/h1-4,6,9,13H,5,12H2,(H,14,15);2H,4H2,1H3,(H,5,6)
InChIKeyOZWJUMUCYLLJQQ-UHFFFAOYSA-N
XLogP0.54
TPSA142.43 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid?
The IUPAC name of 2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid (CID 19078905) is 2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid.
What is the SMILES notation for 2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid?
The canonical SMILES for 2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid is CC(N)C(=O)O.NC(Cc1c[nH]c2ccccc12)C(=O)O.
What is the InChIKey of 2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid?
The InChIKey is OZWJUMUCYLLJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2.C3H7NO2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;1-2(4)3(5)6/h1-4,6,9,13H,5,12H2,(H,14,15);2H,4H2,1H3,(H,5,6).
What are the key properties of 2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid?
2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid has a molecular weight of 293.32 g/mol, XLogP of 0.54, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid is sourced from PubChem (CID 19078905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).