2-(2-carboxyethylamino)butanedioic acid

C7H11NO6 — CID 4046507

IUPAC2-(2-carboxyethylamino)butanedioic acid
SMILESO=C(O)CCNC(CC(=O)O)C(=O)O
InChIInChI=1S/C7H11NO6/c9-5(10)1-2-8-4(7(13)14)3-6(11)12/h4,8H,1-3H2,(H,9,10)(H,11,12)(H,13,14)
InChIKeyAINPCLWBWFSAQV-UHFFFAOYSA-N
MW205.17 g/mol
LogP-1.02
Rot. Bonds7

About 2-(2-carboxyethylamino)butanedioic acid

2-(2-carboxyethylamino)butanedioic acid (PubChem CID 4046507) has the molecular formula C7H11NO6 and a molecular weight of 205.17 g/mol. Its IUPAC name is 2-(2-carboxyethylamino)butanedioic acid.

Molecular Properties

Compound Name2-(2-carboxyethylamino)butanedioic acid
PubChem CID4046507
Molecular FormulaC7H11NO6
Molecular Weight205.17 g/mol
Exact Mass205.06
IUPAC Name2-(2-carboxyethylamino)butanedioic acid
SMILESO=C(O)CCNC(CC(=O)O)C(=O)O
InChIInChI=1S/C7H11NO6/c9-5(10)1-2-8-4(7(13)14)3-6(11)12/h4,8H,1-3H2,(H,9,10)(H,11,12)(H,13,14)
InChIKeyAINPCLWBWFSAQV-UHFFFAOYSA-N
XLogP-1.02
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 5-1.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-carboxyethylamino)butanedioic acid?
The IUPAC name of 2-(2-carboxyethylamino)butanedioic acid (CID 4046507) is 2-(2-carboxyethylamino)butanedioic acid.
What is the SMILES notation for 2-(2-carboxyethylamino)butanedioic acid?
The canonical SMILES for 2-(2-carboxyethylamino)butanedioic acid is O=C(O)CCNC(CC(=O)O)C(=O)O.
What is the InChIKey of 2-(2-carboxyethylamino)butanedioic acid?
The InChIKey is AINPCLWBWFSAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO6/c9-5(10)1-2-8-4(7(13)14)3-6(11)12/h4,8H,1-3H2,(H,9,10)(H,11,12)(H,13,14).
What are the key properties of 2-(2-carboxyethylamino)butanedioic acid?
2-(2-carboxyethylamino)butanedioic acid has a molecular weight of 205.17 g/mol, XLogP of -1.02, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carboxyethylamino)butanedioic acid is sourced from PubChem (CID 4046507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).