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

C6H9NO3 — CID 71699730

IUPAC2-[methyl(prop-2-enyl)amino]-2-oxoacetic acid
SMILESC=CCN(C)C(=O)C(=O)O
InChIInChI=1S/C6H9NO3/c1-3-4-7(2)5(8)6(9)10/h3H,1,4H2,2H3,(H,9,10)
InChIKeyULPDGBTXFFADSK-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.28
Rot. Bonds2

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

2-[methyl(prop-2-enyl)amino]-2-oxoacetic acid (PubChem CID 71699730) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 2-[methyl(prop-2-enyl)amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[methyl(prop-2-enyl)amino]-2-oxoacetic acid
PubChem CID71699730
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name2-[methyl(prop-2-enyl)amino]-2-oxoacetic acid
SMILESC=CCN(C)C(=O)C(=O)O
InChIInChI=1S/C6H9NO3/c1-3-4-7(2)5(8)6(9)10/h3H,1,4H2,2H3,(H,9,10)
InChIKeyULPDGBTXFFADSK-UHFFFAOYSA-N
XLogP-0.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.28
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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Related Compounds

N,N'-dimethyl-N,N'-bis(prop-2-enyl)oxamide
CID 71483404
2-fluoro-N-methyl-N-prop-2-enylprop-2-enamide
CID 139381351
1-ethyl-1,3-dimethyl-3-prop-2-enylurea
CID 116657053
methyl N-methyl-N-prop-2-enylcarbamate
CID 116657055
2-[carboxymethyl(methyl)amino]-2-oxoacetic acid
CID 14985601
propan-2-yl N-methyl-N-prop-2-enylcarbamate
CID 116657045
chloromethane;N-methyl-N-prop-2-enylprop-2-en-1-amine;prop-2-enoic acid
CID 22495089
2-ethyl-N,2-dimethyl-N-prop-2-enylbutanamide
CID 14248676
2-[methyl(prop-2-enyl)hydrazinylidene]propanoic acid
CID 54142934
N,N-bis(prop-2-enyl)prop-2-en-1-amine;carbonic acid
CID 173029925
(2R,3S)-2,3-dihydroxy-N-methyl-N-prop-2-enylbutanamide
CID 143154091
N,N-dimethylmethanamine;prop-2-enoic acid
CID 87439346

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(prop-2-enyl)amino]-2-oxoacetic acid?
The IUPAC name of 2-[methyl(prop-2-enyl)amino]-2-oxoacetic acid (CID 71699730) is 2-[methyl(prop-2-enyl)amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[methyl(prop-2-enyl)amino]-2-oxoacetic acid?
The canonical SMILES for 2-[methyl(prop-2-enyl)amino]-2-oxoacetic acid is C=CCN(C)C(=O)C(=O)O.
What is the InChIKey of 2-[methyl(prop-2-enyl)amino]-2-oxoacetic acid?
The InChIKey is ULPDGBTXFFADSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-3-4-7(2)5(8)6(9)10/h3H,1,4H2,2H3,(H,9,10).
What are the key properties of 2-[methyl(prop-2-enyl)amino]-2-oxoacetic acid?
2-[methyl(prop-2-enyl)amino]-2-oxoacetic acid has a molecular weight of 143.14 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(prop-2-enyl)amino]-2-oxoacetic acid is sourced from PubChem (CID 71699730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).