2-(carboxymethylamino)-2-oxoacetic acid;ethene

C6H9NO5 — CID 142170274

IUPAC2-(carboxymethylamino)-2-oxoacetic acid;ethene
SMILESC=C.O=C(O)CNC(=O)C(=O)O
InChIInChI=1S/C4H5NO5.C2H4/c6-2(7)1-5-3(8)4(9)10;1-2/h1H2,(H,5,8)(H,6,7)(H,9,10);1-2H2
InChIKeySSVRUPRAYPFYIC-UHFFFAOYSA-N
MW175.14 g/mol
LogP-0.93
Rot. Bonds2

About 2-(carboxymethylamino)-2-oxoacetic acid;ethene

2-(carboxymethylamino)-2-oxoacetic acid;ethene (PubChem CID 142170274) has the molecular formula C6H9NO5 and a molecular weight of 175.14 g/mol. Its IUPAC name is 2-(carboxymethylamino)-2-oxoacetic acid;ethene.

Molecular Properties

Compound Name2-(carboxymethylamino)-2-oxoacetic acid;ethene
PubChem CID142170274
Molecular FormulaC6H9NO5
Molecular Weight175.14 g/mol
Exact Mass175.05
IUPAC Name2-(carboxymethylamino)-2-oxoacetic acid;ethene
SMILESC=C.O=C(O)CNC(=O)C(=O)O
InChIInChI=1S/C4H5NO5.C2H4/c6-2(7)1-5-3(8)4(9)10;1-2/h1H2,(H,5,8)(H,6,7)(H,9,10);1-2H2
InChIKeySSVRUPRAYPFYIC-UHFFFAOYSA-N
XLogP-0.93
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(carboxymethylamino)-2-oxoacetic acid;ethene?
The IUPAC name of 2-(carboxymethylamino)-2-oxoacetic acid;ethene (CID 142170274) is 2-(carboxymethylamino)-2-oxoacetic acid;ethene.
What is the SMILES notation for 2-(carboxymethylamino)-2-oxoacetic acid;ethene?
The canonical SMILES for 2-(carboxymethylamino)-2-oxoacetic acid;ethene is C=C.O=C(O)CNC(=O)C(=O)O.
What is the InChIKey of 2-(carboxymethylamino)-2-oxoacetic acid;ethene?
The InChIKey is SSVRUPRAYPFYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO5.C2H4/c6-2(7)1-5-3(8)4(9)10;1-2/h1H2,(H,5,8)(H,6,7)(H,9,10);1-2H2.
What are the key properties of 2-(carboxymethylamino)-2-oxoacetic acid;ethene?
2-(carboxymethylamino)-2-oxoacetic acid;ethene has a molecular weight of 175.14 g/mol, XLogP of -0.93, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxymethylamino)-2-oxoacetic acid;ethene is sourced from PubChem (CID 142170274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).