3-amino-2-(carboxymethylamino)-2-methyl-3-oxopropanoic acid

C6H10N2O5 — CID 21119706

IUPAC3-amino-2-(carboxymethylamino)-2-methyl-3-oxopropanoic acid
SMILESCC(NCC(=O)O)(C(N)=O)C(=O)O
InChIInChI=1S/C6H10N2O5/c1-6(4(7)11,5(12)13)8-2-3(9)10/h8H,2H2,1H3,(H2,7,11)(H,9,10)(H,12,13)
InChIKeyFHPQVWMMVGIRND-UHFFFAOYSA-N
MW190.15 g/mol
LogP-2.01
Rot. Bonds5

About 3-amino-2-(carboxymethylamino)-2-methyl-3-oxopropanoic acid

3-amino-2-(carboxymethylamino)-2-methyl-3-oxopropanoic acid (PubChem CID 21119706) has the molecular formula C6H10N2O5 and a molecular weight of 190.15 g/mol. Its IUPAC name is 3-amino-2-(carboxymethylamino)-2-methyl-3-oxopropanoic acid.

Molecular Properties

Compound Name3-amino-2-(carboxymethylamino)-2-methyl-3-oxopropanoic acid
PubChem CID21119706
Molecular FormulaC6H10N2O5
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name3-amino-2-(carboxymethylamino)-2-methyl-3-oxopropanoic acid
SMILESCC(NCC(=O)O)(C(N)=O)C(=O)O
InChIInChI=1S/C6H10N2O5/c1-6(4(7)11,5(12)13)8-2-3(9)10/h8H,2H2,1H3,(H2,7,11)(H,9,10)(H,12,13)
InChIKeyFHPQVWMMVGIRND-UHFFFAOYSA-N
XLogP-2.01
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 5-2.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(carboxymethylamino)-2-methyl-3-oxopropanoic acid?
The IUPAC name of 3-amino-2-(carboxymethylamino)-2-methyl-3-oxopropanoic acid (CID 21119706) is 3-amino-2-(carboxymethylamino)-2-methyl-3-oxopropanoic acid.
What is the SMILES notation for 3-amino-2-(carboxymethylamino)-2-methyl-3-oxopropanoic acid?
The canonical SMILES for 3-amino-2-(carboxymethylamino)-2-methyl-3-oxopropanoic acid is CC(NCC(=O)O)(C(N)=O)C(=O)O.
What is the InChIKey of 3-amino-2-(carboxymethylamino)-2-methyl-3-oxopropanoic acid?
The InChIKey is FHPQVWMMVGIRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O5/c1-6(4(7)11,5(12)13)8-2-3(9)10/h8H,2H2,1H3,(H2,7,11)(H,9,10)(H,12,13).
What are the key properties of 3-amino-2-(carboxymethylamino)-2-methyl-3-oxopropanoic acid?
3-amino-2-(carboxymethylamino)-2-methyl-3-oxopropanoic acid has a molecular weight of 190.15 g/mol, XLogP of -2.01, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(carboxymethylamino)-2-methyl-3-oxopropanoic acid is sourced from PubChem (CID 21119706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).