2-aminoacetic acid;1-methylindole-3-carbaldehyde

C12H14N2O3 — CID 23295599

IUPAC2-aminoacetic acid;1-methylindole-3-carbaldehyde
SMILESCn1cc(C=O)c2ccccc21.NCC(=O)O
InChIInChI=1S/C10H9NO.C2H5NO2/c1-11-6-8(7-12)9-4-2-3-5-10(9)11;3-1-2(4)5/h2-7H,1H3;1,3H2,(H,4,5)
InChIKeySDCGZECJIBPAAW-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.02
Rot. Bonds2

About 2-aminoacetic acid;1-methylindole-3-carbaldehyde

2-aminoacetic acid;1-methylindole-3-carbaldehyde (PubChem CID 23295599) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-aminoacetic acid;1-methylindole-3-carbaldehyde.

Molecular Properties

Compound Name2-aminoacetic acid;1-methylindole-3-carbaldehyde
PubChem CID23295599
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-aminoacetic acid;1-methylindole-3-carbaldehyde
SMILESCn1cc(C=O)c2ccccc21.NCC(=O)O
InChIInChI=1S/C10H9NO.C2H5NO2/c1-11-6-8(7-12)9-4-2-3-5-10(9)11;3-1-2(4)5/h2-7H,1H3;1,3H2,(H,4,5)
InChIKeySDCGZECJIBPAAW-UHFFFAOYSA-N
XLogP1.02
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;1-methylindole-3-carbaldehyde?
The IUPAC name of 2-aminoacetic acid;1-methylindole-3-carbaldehyde (CID 23295599) is 2-aminoacetic acid;1-methylindole-3-carbaldehyde.
What is the SMILES notation for 2-aminoacetic acid;1-methylindole-3-carbaldehyde?
The canonical SMILES for 2-aminoacetic acid;1-methylindole-3-carbaldehyde is Cn1cc(C=O)c2ccccc21.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;1-methylindole-3-carbaldehyde?
The InChIKey is SDCGZECJIBPAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO.C2H5NO2/c1-11-6-8(7-12)9-4-2-3-5-10(9)11;3-1-2(4)5/h2-7H,1H3;1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;1-methylindole-3-carbaldehyde?
2-aminoacetic acid;1-methylindole-3-carbaldehyde has a molecular weight of 234.25 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;1-methylindole-3-carbaldehyde is sourced from PubChem (CID 23295599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).