2-(carboxymethylamino)butanedioic acid

C6H9NO6 — CID 10313469

IUPAC2-(carboxymethylamino)butanedioic acid
SMILESO=C(O)CNC(CC(=O)O)C(=O)O
InChIInChI=1S/C6H9NO6/c8-4(9)1-3(6(12)13)7-2-5(10)11/h3,7H,1-2H2,(H,8,9)(H,10,11)(H,12,13)
InChIKeyBTLHODXEDLCLAD-UHFFFAOYSA-N
MW191.14 g/mol
LogP-1.41
Rot. Bonds6

About 2-(carboxymethylamino)butanedioic acid

2-(carboxymethylamino)butanedioic acid (PubChem CID 10313469) has the molecular formula C6H9NO6 and a molecular weight of 191.14 g/mol. Its IUPAC name is 2-(carboxymethylamino)butanedioic acid.

Molecular Properties

Compound Name2-(carboxymethylamino)butanedioic acid
PubChem CID10313469
Molecular FormulaC6H9NO6
Molecular Weight191.14 g/mol
Exact Mass191.04
IUPAC Name2-(carboxymethylamino)butanedioic acid
SMILESO=C(O)CNC(CC(=O)O)C(=O)O
InChIInChI=1S/C6H9NO6/c8-4(9)1-3(6(12)13)7-2-5(10)11/h3,7H,1-2H2,(H,8,9)(H,10,11)(H,12,13)
InChIKeyBTLHODXEDLCLAD-UHFFFAOYSA-N
XLogP-1.41
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.14
LogP ≤ 5-1.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(carboxymethylamino)butanedioic acid?
The IUPAC name of 2-(carboxymethylamino)butanedioic acid (CID 10313469) is 2-(carboxymethylamino)butanedioic acid.
What is the SMILES notation for 2-(carboxymethylamino)butanedioic acid?
The canonical SMILES for 2-(carboxymethylamino)butanedioic acid is O=C(O)CNC(CC(=O)O)C(=O)O.
What is the InChIKey of 2-(carboxymethylamino)butanedioic acid?
The InChIKey is BTLHODXEDLCLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO6/c8-4(9)1-3(6(12)13)7-2-5(10)11/h3,7H,1-2H2,(H,8,9)(H,10,11)(H,12,13).
What are the key properties of 2-(carboxymethylamino)butanedioic acid?
2-(carboxymethylamino)butanedioic acid has a molecular weight of 191.14 g/mol, XLogP of -1.41, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxymethylamino)butanedioic acid is sourced from PubChem (CID 10313469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).