2-aminopropanoate;carbon dioxide

C4H6NO4- — CID 160850245

IUPAC2-aminopropanoate;carbon dioxide
SMILESCC(N)C(=O)[O-].O=C=O
InChIInChI=1S/C3H7NO2.CO2/c1-2(4)3(5)6;2-1-3/h2H,4H2,1H3,(H,5,6);/p-1
InChIKeySJDZNUYZMZKLSJ-UHFFFAOYSA-M
MW132.09 g/mol
LogP-2.50
Rot. Bonds1

About 2-aminopropanoate;carbon dioxide

2-aminopropanoate;carbon dioxide (PubChem CID 160850245) has the molecular formula C4H6NO4- and a molecular weight of 132.09 g/mol. Its IUPAC name is 2-aminopropanoate;carbon dioxide.

Molecular Properties

Compound Name2-aminopropanoate;carbon dioxide
PubChem CID160850245
Molecular FormulaC4H6NO4-
Molecular Weight132.09 g/mol
Exact Mass132.03
IUPAC Name2-aminopropanoate;carbon dioxide
SMILESCC(N)C(=O)[O-].O=C=O
InChIInChI=1S/C3H7NO2.CO2/c1-2(4)3(5)6;2-1-3/h2H,4H2,1H3,(H,5,6);/p-1
InChIKeySJDZNUYZMZKLSJ-UHFFFAOYSA-M
XLogP-2.50
TPSA100.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.09
LogP ≤ 5-2.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-aminopropanoate;carbon dioxide?
The IUPAC name of 2-aminopropanoate;carbon dioxide (CID 160850245) is 2-aminopropanoate;carbon dioxide.
What is the SMILES notation for 2-aminopropanoate;carbon dioxide?
The canonical SMILES for 2-aminopropanoate;carbon dioxide is CC(N)C(=O)[O-].O=C=O.
What is the InChIKey of 2-aminopropanoate;carbon dioxide?
The InChIKey is SJDZNUYZMZKLSJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7NO2.CO2/c1-2(4)3(5)6;2-1-3/h2H,4H2,1H3,(H,5,6);/p-1.
What are the key properties of 2-aminopropanoate;carbon dioxide?
2-aminopropanoate;carbon dioxide has a molecular weight of 132.09 g/mol, XLogP of -2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopropanoate;carbon dioxide is sourced from PubChem (CID 160850245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).