2-(aminomethyl)-5-oxooxolane-2-carboxylic acid

C6H9NO4 — CID 121226698

IUPAC2-(aminomethyl)-5-oxooxolane-2-carboxylic acid
SMILESNCC1(C(=O)O)CCC(=O)O1
InChIInChI=1S/C6H9NO4/c7-3-6(5(9)10)2-1-4(8)11-6/h1-3,7H2,(H,9,10)
InChIKeyQOBCYRCNXPKGDT-UHFFFAOYSA-N
MW159.14 g/mol
LogP-0.89
Rot. Bonds2

About 2-(aminomethyl)-5-oxooxolane-2-carboxylic acid

2-(aminomethyl)-5-oxooxolane-2-carboxylic acid (PubChem CID 121226698) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is 2-(aminomethyl)-5-oxooxolane-2-carboxylic acid.

Molecular Properties

Compound Name2-(aminomethyl)-5-oxooxolane-2-carboxylic acid
PubChem CID121226698
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name2-(aminomethyl)-5-oxooxolane-2-carboxylic acid
SMILESNCC1(C(=O)O)CCC(=O)O1
InChIInChI=1S/C6H9NO4/c7-3-6(5(9)10)2-1-4(8)11-6/h1-3,7H2,(H,9,10)
InChIKeyQOBCYRCNXPKGDT-UHFFFAOYSA-N
XLogP-0.89
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-oxooxolane-2-carboxylic acid?
The IUPAC name of 2-(aminomethyl)-5-oxooxolane-2-carboxylic acid (CID 121226698) is 2-(aminomethyl)-5-oxooxolane-2-carboxylic acid.
What is the SMILES notation for 2-(aminomethyl)-5-oxooxolane-2-carboxylic acid?
The canonical SMILES for 2-(aminomethyl)-5-oxooxolane-2-carboxylic acid is NCC1(C(=O)O)CCC(=O)O1.
What is the InChIKey of 2-(aminomethyl)-5-oxooxolane-2-carboxylic acid?
The InChIKey is QOBCYRCNXPKGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4/c7-3-6(5(9)10)2-1-4(8)11-6/h1-3,7H2,(H,9,10).
What are the key properties of 2-(aminomethyl)-5-oxooxolane-2-carboxylic acid?
2-(aminomethyl)-5-oxooxolane-2-carboxylic acid has a molecular weight of 159.14 g/mol, XLogP of -0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-oxooxolane-2-carboxylic acid is sourced from PubChem (CID 121226698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).