2-[bis(prop-2-enyl)amino]-2-oxoacetic acid

C8H11NO3 — CID 19746232

IUPAC2-[bis(prop-2-enyl)amino]-2-oxoacetic acid
SMILESC=CCN(CC=C)C(=O)C(=O)O
InChIInChI=1S/C8H11NO3/c1-3-5-9(6-4-2)7(10)8(11)12/h3-4H,1-2,5-6H2,(H,11,12)
InChIKeyVWBVABIPXQYLHA-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.27
Rot. Bonds4

About 2-[bis(prop-2-enyl)amino]-2-oxoacetic acid

2-[bis(prop-2-enyl)amino]-2-oxoacetic acid (PubChem CID 19746232) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)amino]-2-oxoacetic acid
PubChem CID19746232
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name2-[bis(prop-2-enyl)amino]-2-oxoacetic acid
SMILESC=CCN(CC=C)C(=O)C(=O)O
InChIInChI=1S/C8H11NO3/c1-3-5-9(6-4-2)7(10)8(11)12/h3-4H,1-2,5-6H2,(H,11,12)
InChIKeyVWBVABIPXQYLHA-UHFFFAOYSA-N
XLogP0.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[bis(prop-2-enyl)amino]-2-oxoacetic acid?
The IUPAC name of 2-[bis(prop-2-enyl)amino]-2-oxoacetic acid (CID 19746232) is 2-[bis(prop-2-enyl)amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[bis(prop-2-enyl)amino]-2-oxoacetic acid?
The canonical SMILES for 2-[bis(prop-2-enyl)amino]-2-oxoacetic acid is C=CCN(CC=C)C(=O)C(=O)O.
What is the InChIKey of 2-[bis(prop-2-enyl)amino]-2-oxoacetic acid?
The InChIKey is VWBVABIPXQYLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-3-5-9(6-4-2)7(10)8(11)12/h3-4H,1-2,5-6H2,(H,11,12).
What are the key properties of 2-[bis(prop-2-enyl)amino]-2-oxoacetic acid?
2-[bis(prop-2-enyl)amino]-2-oxoacetic acid has a molecular weight of 169.18 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(prop-2-enyl)amino]-2-oxoacetic acid is sourced from PubChem (CID 19746232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).