2-aminoacetic acid;thiophene-2-carbaldehyde

C7H9NO3S — CID 23295605

IUPAC2-aminoacetic acid;thiophene-2-carbaldehyde
SMILESNCC(=O)O.O=Cc1cccs1
InChIInChI=1S/C5H4OS.C2H5NO2/c6-4-5-2-1-3-7-5;3-1-2(4)5/h1-4H;1,3H2,(H,4,5)
InChIKeyYOULNVXGIAPLTK-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.59
Rot. Bonds2

About 2-aminoacetic acid;thiophene-2-carbaldehyde

2-aminoacetic acid;thiophene-2-carbaldehyde (PubChem CID 23295605) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is 2-aminoacetic acid;thiophene-2-carbaldehyde.

Molecular Properties

Compound Name2-aminoacetic acid;thiophene-2-carbaldehyde
PubChem CID23295605
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Name2-aminoacetic acid;thiophene-2-carbaldehyde
SMILESNCC(=O)O.O=Cc1cccs1
InChIInChI=1S/C5H4OS.C2H5NO2/c6-4-5-2-1-3-7-5;3-1-2(4)5/h1-4H;1,3H2,(H,4,5)
InChIKeyYOULNVXGIAPLTK-UHFFFAOYSA-N
XLogP0.59
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

thiophene-2-carbaldehyde;hydrobromide
CID 20535828
CID 18504239
CID 18504239
3-thiophen-2-ylprop-2-ene-1,2-diamine
CID 163408563
(E)-2-amino-3-thiophen-2-ylprop-2-enoic acid
CID 104830865
(Z)-1-amino-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one
CID 82504052
2-(thiophen-2-ylmethylidene)propanedioic acid
CID 4714957
9H-carbazole;thiophene-2-carbaldehyde
CID 174706827
(E)-3-thiophen-2-ylprop-2-enoic acid;hydrochloride
CID 88528301
2-(thiophen-2-ylmethylidene)propanediamide
CID 5079332
5-(2-thiophen-2-ylethenyl)thiophene-2-carbaldehyde
CID 71357746
acetyl propanoate;thiophene;thiophene-2-carbaldehyde;thiophene-2-carboxylic acid
CID 174633207
(E)-2-chloro-3-thiophen-2-ylprop-2-enoic acid
CID 88503797

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;thiophene-2-carbaldehyde?
The IUPAC name of 2-aminoacetic acid;thiophene-2-carbaldehyde (CID 23295605) is 2-aminoacetic acid;thiophene-2-carbaldehyde.
What is the SMILES notation for 2-aminoacetic acid;thiophene-2-carbaldehyde?
The canonical SMILES for 2-aminoacetic acid;thiophene-2-carbaldehyde is NCC(=O)O.O=Cc1cccs1.
What is the InChIKey of 2-aminoacetic acid;thiophene-2-carbaldehyde?
The InChIKey is YOULNVXGIAPLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4OS.C2H5NO2/c6-4-5-2-1-3-7-5;3-1-2(4)5/h1-4H;1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;thiophene-2-carbaldehyde?
2-aminoacetic acid;thiophene-2-carbaldehyde has a molecular weight of 187.22 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;thiophene-2-carbaldehyde is sourced from PubChem (CID 23295605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).