2-aminoacetic acid;oxaldehydic acid;2-oxopropanoic acid;hydrate

C7H13NO9 — CID 174318799

IUPAC2-aminoacetic acid;oxaldehydic acid;2-oxopropanoic acid;hydrate
SMILESCC(=O)C(=O)O.NCC(=O)O.O.O=CC(=O)O
InChIInChI=1S/C3H4O3.C2H5NO2.C2H2O3.H2O/c1-2(4)3(5)6;2*3-1-2(4)5;/h1H3,(H,5,6);1,3H2,(H,4,5);1H,(H,4,5);1H2
InChIKeySZSUIZGQHQSPQE-UHFFFAOYSA-N
MW255.18 g/mol
LogP-2.87
Rot. Bonds3

About 2-aminoacetic acid;oxaldehydic acid;2-oxopropanoic acid;hydrate

2-aminoacetic acid;oxaldehydic acid;2-oxopropanoic acid;hydrate (PubChem CID 174318799) has the molecular formula C7H13NO9 and a molecular weight of 255.18 g/mol. Its IUPAC name is 2-aminoacetic acid;oxaldehydic acid;2-oxopropanoic acid;hydrate.

Molecular Properties

Compound Name2-aminoacetic acid;oxaldehydic acid;2-oxopropanoic acid;hydrate
PubChem CID174318799
Molecular FormulaC7H13NO9
Molecular Weight255.18 g/mol
Exact Mass255.06
IUPAC Name2-aminoacetic acid;oxaldehydic acid;2-oxopropanoic acid;hydrate
SMILESCC(=O)C(=O)O.NCC(=O)O.O.O=CC(=O)O
InChIInChI=1S/C3H4O3.C2H5NO2.C2H2O3.H2O/c1-2(4)3(5)6;2*3-1-2(4)5;/h1H3,(H,5,6);1,3H2,(H,4,5);1H,(H,4,5);1H2
InChIKeySZSUIZGQHQSPQE-UHFFFAOYSA-N
XLogP-2.87
TPSA203.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.18
LogP ≤ 5-2.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;oxaldehydic acid;2-oxopropanoic acid;hydrate?
The IUPAC name of 2-aminoacetic acid;oxaldehydic acid;2-oxopropanoic acid;hydrate (CID 174318799) is 2-aminoacetic acid;oxaldehydic acid;2-oxopropanoic acid;hydrate.
What is the SMILES notation for 2-aminoacetic acid;oxaldehydic acid;2-oxopropanoic acid;hydrate?
The canonical SMILES for 2-aminoacetic acid;oxaldehydic acid;2-oxopropanoic acid;hydrate is CC(=O)C(=O)O.NCC(=O)O.O.O=CC(=O)O.
What is the InChIKey of 2-aminoacetic acid;oxaldehydic acid;2-oxopropanoic acid;hydrate?
The InChIKey is SZSUIZGQHQSPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O3.C2H5NO2.C2H2O3.H2O/c1-2(4)3(5)6;2*3-1-2(4)5;/h1H3,(H,5,6);1,3H2,(H,4,5);1H,(H,4,5);1H2.
What are the key properties of 2-aminoacetic acid;oxaldehydic acid;2-oxopropanoic acid;hydrate?
2-aminoacetic acid;oxaldehydic acid;2-oxopropanoic acid;hydrate has a molecular weight of 255.18 g/mol, XLogP of -2.87, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;oxaldehydic acid;2-oxopropanoic acid;hydrate is sourced from PubChem (CID 174318799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).