2-aminoacetic acid;furan-3-carbaldehyde

C7H9NO4 — CID 23295589

IUPAC2-aminoacetic acid;furan-3-carbaldehyde
SMILESNCC(=O)O.O=Cc1ccoc1
InChIInChI=1S/C5H4O2.C2H5NO2/c6-3-5-1-2-7-4-5;3-1-2(4)5/h1-4H;1,3H2,(H,4,5)
InChIKeyIPIKNBSEYRCEFY-UHFFFAOYSA-N
MW171.15 g/mol
LogP0.12
Rot. Bonds2

About 2-aminoacetic acid;furan-3-carbaldehyde

2-aminoacetic acid;furan-3-carbaldehyde (PubChem CID 23295589) has the molecular formula C7H9NO4 and a molecular weight of 171.15 g/mol. Its IUPAC name is 2-aminoacetic acid;furan-3-carbaldehyde.

Molecular Properties

Compound Name2-aminoacetic acid;furan-3-carbaldehyde
PubChem CID23295589
Molecular FormulaC7H9NO4
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Name2-aminoacetic acid;furan-3-carbaldehyde
SMILESNCC(=O)O.O=Cc1ccoc1
InChIInChI=1S/C5H4O2.C2H5NO2/c6-3-5-1-2-7-4-5;3-1-2(4)5/h1-4H;1,3H2,(H,4,5)
InChIKeyIPIKNBSEYRCEFY-UHFFFAOYSA-N
XLogP0.12
TPSA93.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 50.12
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

2-Aminoacetic acid;cyclohexanamine;furan-3-carbaldehyde
CID 23291887
Ethylaminomethyl furan-3-carboxylate
CID 67217509
cyclohexanamine;(2S)-2,3-diaminopropanoic acid;furan-3-carbaldehyde
CID 88240821
2-Aminoacetic acid;furan-2-ol
CID 90119571
4-(Furan-3-carbonyloxy)butanoic acid
CID 126720988
Methylaminomethyl furan-3-carboxylate
CID 154460912
furan-3-carboxylic acid;N-methylmethanamine;hydrochloride
CID 157961730
Furan-3-carbaldehyde;propanoic acid
CID 158875989
2-Aminoacetic acid;furan
CID 160099647
Aminomethyl furan-3-carboxylate
CID 163603289
Furan-3-carbaldehyde;methanamine
CID 174445708
2-Aminoacetic acid;azane;furan
CID 174584435

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;furan-3-carbaldehyde?
The IUPAC name of 2-aminoacetic acid;furan-3-carbaldehyde (CID 23295589) is 2-aminoacetic acid;furan-3-carbaldehyde.
What is the SMILES notation for 2-aminoacetic acid;furan-3-carbaldehyde?
The canonical SMILES for 2-aminoacetic acid;furan-3-carbaldehyde is NCC(=O)O.O=Cc1ccoc1.
What is the InChIKey of 2-aminoacetic acid;furan-3-carbaldehyde?
The InChIKey is IPIKNBSEYRCEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O2.C2H5NO2/c6-3-5-1-2-7-4-5;3-1-2(4)5/h1-4H;1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;furan-3-carbaldehyde?
2-aminoacetic acid;furan-3-carbaldehyde has a molecular weight of 171.15 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;furan-3-carbaldehyde is sourced from PubChem (CID 23295589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).