2-[carboxymethyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid

C8H13N3O6 — CID 63646632

IUPAC2-[carboxymethyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid
SMILESCNC(=O)NC(=O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/C8H13N3O6/c1-9-8(17)10-5(12)2-11(3-6(13)14)4-7(15)16/h2-4H2,1H3,(H,13,14)(H,15,16)(H2,9,10,12,17)
InChIKeyQDSWLXHNKUMGQD-UHFFFAOYSA-N
MW247.21 g/mol
LogP-2.09
Rot. Bonds6

About 2-[carboxymethyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid

2-[carboxymethyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid (PubChem CID 63646632) has the molecular formula C8H13N3O6 and a molecular weight of 247.21 g/mol. Its IUPAC name is 2-[carboxymethyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid
PubChem CID63646632
Molecular FormulaC8H13N3O6
Molecular Weight247.21 g/mol
Exact Mass247.08
IUPAC Name2-[carboxymethyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid
SMILESCNC(=O)NC(=O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/C8H13N3O6/c1-9-8(17)10-5(12)2-11(3-6(13)14)4-7(15)16/h2-4H2,1H3,(H,13,14)(H,15,16)(H2,9,10,12,17)
InChIKeyQDSWLXHNKUMGQD-UHFFFAOYSA-N
XLogP-2.09
TPSA136.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 5-2.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[carboxymethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid
CID 63645647
2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid
CID 61008829
2-[carboxymethyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid
CID 170732928
2-[(2-amino-2-oxoethyl)-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]acetic acid
CID 107440755
2-[bis(carboxymethyl)amino]acetic acid
CID 22440005
2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine
CID 88838366
2-[carboxymethyl-[2-(methoxyamino)-2-oxoethyl]amino]acetic acid;ethane
CID 153337415
2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid
CID 43466011
2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid
CID 61007591
2-[benzyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)acetamide
CID 60685209
2-[bis(carboxymethyl)amino]acetic acid;cerium
CID 88686592
CID 160559897
CID 160559897

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid (CID 63646632) is 2-[carboxymethyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid is CNC(=O)NC(=O)CN(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid?
The InChIKey is QDSWLXHNKUMGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O6/c1-9-8(17)10-5(12)2-11(3-6(13)14)4-7(15)16/h2-4H2,1H3,(H,13,14)(H,15,16)(H2,9,10,12,17).
What are the key properties of 2-[carboxymethyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid?
2-[carboxymethyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid has a molecular weight of 247.21 g/mol, XLogP of -2.09, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 63646632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).