2-[2-(1,2-dicarboxyethoxy)ethyl-(2-hydroxyethyl)amino]butanedioic acid

C12H19NO10 — CID 59356945

IUPAC2-[2-(1,2-dicarboxyethoxy)ethyl-(2-hydroxyethyl)amino]butanedioic acid
SMILESO=C(O)CC(OCCN(CCO)C(CC(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C12H19NO10/c14-3-1-13(7(11(19)20)5-9(15)16)2-4-23-8(12(21)22)6-10(17)18/h7-8,14H,1-6H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChIKeySYGQUSOLFMZUQS-UHFFFAOYSA-N
MW337.28 g/mol
LogP-1.85
Rot. Bonds13

About 2-[2-(1,2-dicarboxyethoxy)ethyl-(2-hydroxyethyl)amino]butanedioic acid

2-[2-(1,2-dicarboxyethoxy)ethyl-(2-hydroxyethyl)amino]butanedioic acid (PubChem CID 59356945) has the molecular formula C12H19NO10 and a molecular weight of 337.28 g/mol. Its IUPAC name is 2-[2-(1,2-dicarboxyethoxy)ethyl-(2-hydroxyethyl)amino]butanedioic acid.

Molecular Properties

Compound Name2-[2-(1,2-dicarboxyethoxy)ethyl-(2-hydroxyethyl)amino]butanedioic acid
PubChem CID59356945
Molecular FormulaC12H19NO10
Molecular Weight337.28 g/mol
Exact Mass337.10
IUPAC Name2-[2-(1,2-dicarboxyethoxy)ethyl-(2-hydroxyethyl)amino]butanedioic acid
SMILESO=C(O)CC(OCCN(CCO)C(CC(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C12H19NO10/c14-3-1-13(7(11(19)20)5-9(15)16)2-4-23-8(12(21)22)6-10(17)18/h7-8,14H,1-6H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChIKeySYGQUSOLFMZUQS-UHFFFAOYSA-N
XLogP-1.85
TPSA181.90 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.28
LogP ≤ 5-1.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

2-[bis[2-(1,2-dicarboxyethoxy)ethyl]amino]butanedioic acid
CID 10994081
2-[bis[2-(1,2-dicarboxyethoxy)ethyl]amino]butanedioic acid;2-[2-[bis[2-(1,2-dicarboxyethoxy)ethyl]amino]ethoxy]butanedioic acid;2-[2-[2-(1,2-dicarboxyethoxy)ethylamino]ethoxy]butanedioic acid;2-[2-(1,2-dicarboxyethoxy)ethyl-(2-hydroxyethyl)amino]butanedioic acid
CID 159658542
2-[2-[2-(1,2-dicarboxyethoxy)ethyl-methylamino]ethoxy]butanedioic acid
CID 18506229
2-[2-[2-(carboxymethoxy)ethyl-(carboxymethyl)amino]ethoxy]butanedioic acid
CID 137372270
2-butoxybutanedioic acid;4-[4-(4-hydroxybutoxy)butoxy]butan-1-ol
CID 87565763
2-butoxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 87566877
propane-1,2-diol;2-propoxybutanedioic acid
CID 87565394
2-(aminomethoxy)butanedioic acid
CID 174248592
(2R)-2-ethoxybutanedioic acid
CID 101245963
CID 159903683
CID 159903683
2-nonadecoxybutanedioic acid
CID 122611322
2-[2-[2-(1-carboxy-3-hydroperoxypropoxy)ethylamino]ethoxy]butanedioic acid
CID 21134481

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2-dicarboxyethoxy)ethyl-(2-hydroxyethyl)amino]butanedioic acid?
The IUPAC name of 2-[2-(1,2-dicarboxyethoxy)ethyl-(2-hydroxyethyl)amino]butanedioic acid (CID 59356945) is 2-[2-(1,2-dicarboxyethoxy)ethyl-(2-hydroxyethyl)amino]butanedioic acid.
What is the SMILES notation for 2-[2-(1,2-dicarboxyethoxy)ethyl-(2-hydroxyethyl)amino]butanedioic acid?
The canonical SMILES for 2-[2-(1,2-dicarboxyethoxy)ethyl-(2-hydroxyethyl)amino]butanedioic acid is O=C(O)CC(OCCN(CCO)C(CC(=O)O)C(=O)O)C(=O)O.
What is the InChIKey of 2-[2-(1,2-dicarboxyethoxy)ethyl-(2-hydroxyethyl)amino]butanedioic acid?
The InChIKey is SYGQUSOLFMZUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO10/c14-3-1-13(7(11(19)20)5-9(15)16)2-4-23-8(12(21)22)6-10(17)18/h7-8,14H,1-6H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22).
What are the key properties of 2-[2-(1,2-dicarboxyethoxy)ethyl-(2-hydroxyethyl)amino]butanedioic acid?
2-[2-(1,2-dicarboxyethoxy)ethyl-(2-hydroxyethyl)amino]butanedioic acid has a molecular weight of 337.28 g/mol, XLogP of -1.85, 13 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,2-dicarboxyethoxy)ethyl-(2-hydroxyethyl)amino]butanedioic acid is sourced from PubChem (CID 59356945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).