2-[2-(1,2-dicarboxyethoxy)ethylamino]butanedioic acid

C10H15NO9 — CID 18506227

IUPAC2-[2-(1,2-dicarboxyethoxy)ethylamino]butanedioic acid
SMILESO=C(O)CC(NCCOC(CC(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C10H15NO9/c12-7(13)3-5(9(16)17)11-1-2-20-6(10(18)19)4-8(14)15/h5-6,11H,1-4H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)
InChIKeyXZFOFTFYTQPBJB-UHFFFAOYSA-N
MW293.23 g/mol
LogP-1.55
Rot. Bonds11

About 2-[2-(1,2-dicarboxyethoxy)ethylamino]butanedioic acid

2-[2-(1,2-dicarboxyethoxy)ethylamino]butanedioic acid (PubChem CID 18506227) has the molecular formula C10H15NO9 and a molecular weight of 293.23 g/mol. Its IUPAC name is 2-[2-(1,2-dicarboxyethoxy)ethylamino]butanedioic acid.

Molecular Properties

Compound Name2-[2-(1,2-dicarboxyethoxy)ethylamino]butanedioic acid
PubChem CID18506227
Molecular FormulaC10H15NO9
Molecular Weight293.23 g/mol
Exact Mass293.07
IUPAC Name2-[2-(1,2-dicarboxyethoxy)ethylamino]butanedioic acid
SMILESO=C(O)CC(NCCOC(CC(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C10H15NO9/c12-7(13)3-5(9(16)17)11-1-2-20-6(10(18)19)4-8(14)15/h5-6,11H,1-4H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)
InChIKeyXZFOFTFYTQPBJB-UHFFFAOYSA-N
XLogP-1.55
TPSA170.46 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 5-1.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Aspartic acid, N-((1S)-1,2-dicarboxyethyl)-3-hydroxy-, sodium salt (1:4)
CID 138395918
(2S)-2-[bis[2-(1,2-dicarboxyethoxy)ethyl]amino]butanedioic acid
CID 11751374
3-Hydroxy-2,2'-iminodisuccinic acid
CID 17909185
CID 54146485
CID 54146485
3-Hydroxy-2,2'-iminodisuccinic acid tetrasodium salt
CID 25168487
2-Hydroxy-3-(methylamino)butanedioic acid
CID 20332378
2-Amino-3-ethoxysuccinic acid
CID 56932140
(2S,3R)-2-(carboxymethylamino)-3-hydroxybutanedioic acid
CID 44451168
(2S)-2-{[(1S)-1,2-Dicarboxyethyl]amino}-3-hydroxybutanedioic acid
CID 71402106
tetrasodium;(2S)-2-[[(1S)-1,2-dicarboxyethyl]amino]-3-hydroxybutanedioic acid
CID 91979684
2-Acetyloxy-3-aminobutanedioic acid
CID 10130313
2-Amino-3-propanoyloxybutanedioic acid
CID 10198152

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2-dicarboxyethoxy)ethylamino]butanedioic acid?
The IUPAC name of 2-[2-(1,2-dicarboxyethoxy)ethylamino]butanedioic acid (CID 18506227) is 2-[2-(1,2-dicarboxyethoxy)ethylamino]butanedioic acid.
What is the SMILES notation for 2-[2-(1,2-dicarboxyethoxy)ethylamino]butanedioic acid?
The canonical SMILES for 2-[2-(1,2-dicarboxyethoxy)ethylamino]butanedioic acid is O=C(O)CC(NCCOC(CC(=O)O)C(=O)O)C(=O)O.
What is the InChIKey of 2-[2-(1,2-dicarboxyethoxy)ethylamino]butanedioic acid?
The InChIKey is XZFOFTFYTQPBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO9/c12-7(13)3-5(9(16)17)11-1-2-20-6(10(18)19)4-8(14)15/h5-6,11H,1-4H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19).
What are the key properties of 2-[2-(1,2-dicarboxyethoxy)ethylamino]butanedioic acid?
2-[2-(1,2-dicarboxyethoxy)ethylamino]butanedioic acid has a molecular weight of 293.23 g/mol, XLogP of -1.55, 11 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,2-dicarboxyethoxy)ethylamino]butanedioic acid is sourced from PubChem (CID 18506227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).