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

C13H16N2O3 — CID 88778377

IUPACacetaldehyde;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
SMILESCC=O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C11H12N2O2.C2H4O/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;1-2-3/h1-4,6,9,13H,5,12H2,(H,14,15);2H,1H3/t9-;/m0./s1
InChIKeyGGVFWZBWQCZRNE-FVGYRXGTSA-N
MW248.28 g/mol
LogP1.33
Rot. Bonds3

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

acetaldehyde;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid (PubChem CID 88778377) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is acetaldehyde;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Nameacetaldehyde;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
PubChem CID88778377
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Nameacetaldehyde;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
SMILESCC=O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C11H12N2O2.C2H4O/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;1-2-3/h1-4,6,9,13H,5,12H2,(H,14,15);2H,1H3/t9-;/m0./s1
InChIKeyGGVFWZBWQCZRNE-FVGYRXGTSA-N
XLogP1.33
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid?
The IUPAC name of acetaldehyde;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid (CID 88778377) is acetaldehyde;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid.
What is the SMILES notation for acetaldehyde;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid?
The canonical SMILES for acetaldehyde;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid is CC=O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.
What is the InChIKey of acetaldehyde;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid?
The InChIKey is GGVFWZBWQCZRNE-FVGYRXGTSA-N. The full InChI is InChI=1S/C11H12N2O2.C2H4O/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;1-2-3/h1-4,6,9,13H,5,12H2,(H,14,15);2H,1H3/t9-;/m0./s1.
What are the key properties of acetaldehyde;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid?
acetaldehyde;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid has a molecular weight of 248.28 g/mol, XLogP of 1.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 88778377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).