2-[carboxymethyl(methyl)amino]-2-oxoacetic acid

C5H7NO5 — CID 14985601

IUPAC2-[carboxymethyl(methyl)amino]-2-oxoacetic acid
SMILESCN(CC(=O)O)C(=O)C(=O)O
InChIInChI=1S/C5H7NO5/c1-6(2-3(7)8)4(9)5(10)11/h2H2,1H3,(H,7,8)(H,10,11)
InChIKeyAATDVRKPDMQGIA-UHFFFAOYSA-N
MW161.11 g/mol
LogP-1.39
Rot. Bonds2

About 2-[carboxymethyl(methyl)amino]-2-oxoacetic acid

2-[carboxymethyl(methyl)amino]-2-oxoacetic acid (PubChem CID 14985601) has the molecular formula C5H7NO5 and a molecular weight of 161.11 g/mol. Its IUPAC name is 2-[carboxymethyl(methyl)amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(methyl)amino]-2-oxoacetic acid
PubChem CID14985601
Molecular FormulaC5H7NO5
Molecular Weight161.11 g/mol
Exact Mass161.03
IUPAC Name2-[carboxymethyl(methyl)amino]-2-oxoacetic acid
SMILESCN(CC(=O)O)C(=O)C(=O)O
InChIInChI=1S/C5H7NO5/c1-6(2-3(7)8)4(9)5(10)11/h2H2,1H3,(H,7,8)(H,10,11)
InChIKeyAATDVRKPDMQGIA-UHFFFAOYSA-N
XLogP-1.39
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.11
LogP ≤ 5-1.39
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-[dimethylcarbamoyl(methyl)amino]acetic acid
CID 43135260
ethane;2-[methyl(propanoyl)amino]acetic acid
CID 170570723
2-[ethyl(methyl)amino]-2-oxoacetic acid;N-methylmethanamine
CID 19887909
azane;2-(dimethylamino)acetic acid
CID 172828475
2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine
CID 88838366
2-[methyl-(2,2,2-trichloroacetyl)amino]acetic acid
CID 21402666
2-[methyl(prop-2-enyl)amino]-2-oxoacetic acid
CID 71699730
2-[(2,2-dichloroacetyl)-methylamino]acetic acid
CID 21402665
2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetic acid
CID 43356271
2-[(2-aminoacetyl)-methylamino]acetic acid;hydrochloride
CID 87629075
2-[(2-methoxyacetyl)-methylamino]acetic acid
CID 16777253
2-[but-2-enoyl(methyl)amino]acetic acid
CID 74314380

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(methyl)amino]-2-oxoacetic acid?
The IUPAC name of 2-[carboxymethyl(methyl)amino]-2-oxoacetic acid (CID 14985601) is 2-[carboxymethyl(methyl)amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[carboxymethyl(methyl)amino]-2-oxoacetic acid?
The canonical SMILES for 2-[carboxymethyl(methyl)amino]-2-oxoacetic acid is CN(CC(=O)O)C(=O)C(=O)O.
What is the InChIKey of 2-[carboxymethyl(methyl)amino]-2-oxoacetic acid?
The InChIKey is AATDVRKPDMQGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO5/c1-6(2-3(7)8)4(9)5(10)11/h2H2,1H3,(H,7,8)(H,10,11).
What are the key properties of 2-[carboxymethyl(methyl)amino]-2-oxoacetic acid?
2-[carboxymethyl(methyl)amino]-2-oxoacetic acid has a molecular weight of 161.11 g/mol, XLogP of -1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(methyl)amino]-2-oxoacetic acid is sourced from PubChem (CID 14985601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).