2-[ethyl(methyl)amino]-2-oxoacetic acid;N-methylmethanamine

C7H16N2O3 — CID 19887909

IUPAC2-[ethyl(methyl)amino]-2-oxoacetic acid;N-methylmethanamine
SMILESCCN(C)C(=O)C(=O)O.CNC
InChIInChI=1S/C5H9NO3.C2H7N/c1-3-6(2)4(7)5(8)9;1-3-2/h3H2,1-2H3,(H,8,9);3H,1-2H3
InChIKeyJCSPPPGQORDBPU-UHFFFAOYSA-N
MW176.22 g/mol
LogP-0.62
Rot. Bonds1

About 2-[ethyl(methyl)amino]-2-oxoacetic acid;N-methylmethanamine

2-[ethyl(methyl)amino]-2-oxoacetic acid;N-methylmethanamine (PubChem CID 19887909) has the molecular formula C7H16N2O3 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-[ethyl(methyl)amino]-2-oxoacetic acid;N-methylmethanamine.

Molecular Properties

Compound Name2-[ethyl(methyl)amino]-2-oxoacetic acid;N-methylmethanamine
PubChem CID19887909
Molecular FormulaC7H16N2O3
Molecular Weight176.22 g/mol
Exact Mass176.12
IUPAC Name2-[ethyl(methyl)amino]-2-oxoacetic acid;N-methylmethanamine
SMILESCCN(C)C(=O)C(=O)O.CNC
InChIInChI=1S/C5H9NO3.C2H7N/c1-3-6(2)4(7)5(8)9;1-3-2/h3H2,1-2H3,(H,8,9);3H,1-2H3
InChIKeyJCSPPPGQORDBPU-UHFFFAOYSA-N
XLogP-0.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[carboxymethyl(methyl)amino]-2-oxoacetic acid
CID 14985601
2-[butyl(methyl)amino]-2-oxoacetic acid
CID 28710534
N-ethyl-N-methyl-2-(methylamino)acetamide
CID 18683928
2-[2-ethoxyethyl(methyl)amino]-2-oxoacetic acid
CID 81061794
2-[methyl(prop-2-enyl)amino]-2-oxoacetic acid
CID 71699730
(Z)-N,2-diethyl-N-methylbut-2-enamide
CID 172631579
3-amino-1-ethyl-1-methylurea
CID 43263702
1-ethyl-1-methylurea
CID 3032104
N-ethyl-N-methylcarbamoyl bromide
CID 54570671
(E)-2-N-ethyl-1-N,2-N-dimethylbut-1-ene-1,2-diamine
CID 163252486
bis(N,N-diethylethanamine);oxalic acid
CID 71339505
propanoic acid;1,1,2-trimethylhydrazine
CID 90201241

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)amino]-2-oxoacetic acid;N-methylmethanamine?
The IUPAC name of 2-[ethyl(methyl)amino]-2-oxoacetic acid;N-methylmethanamine (CID 19887909) is 2-[ethyl(methyl)amino]-2-oxoacetic acid;N-methylmethanamine.
What is the SMILES notation for 2-[ethyl(methyl)amino]-2-oxoacetic acid;N-methylmethanamine?
The canonical SMILES for 2-[ethyl(methyl)amino]-2-oxoacetic acid;N-methylmethanamine is CCN(C)C(=O)C(=O)O.CNC.
What is the InChIKey of 2-[ethyl(methyl)amino]-2-oxoacetic acid;N-methylmethanamine?
The InChIKey is JCSPPPGQORDBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3.C2H7N/c1-3-6(2)4(7)5(8)9;1-3-2/h3H2,1-2H3,(H,8,9);3H,1-2H3.
What are the key properties of 2-[ethyl(methyl)amino]-2-oxoacetic acid;N-methylmethanamine?
2-[ethyl(methyl)amino]-2-oxoacetic acid;N-methylmethanamine has a molecular weight of 176.22 g/mol, XLogP of -0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)amino]-2-oxoacetic acid;N-methylmethanamine is sourced from PubChem (CID 19887909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).