2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid;piperazine-2,5-dicarboxylic acid

C12H21N3O9 — CID 70563311

IUPAC2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid;piperazine-2,5-dicarboxylic acid
SMILESO=C(O)C1CNC(C(=O)O)CN1.O=C(O)CN(CCO)CC(=O)O
InChIInChI=1S/C6H10N2O4.C6H11NO5/c9-5(10)3-1-7-4(2-8-3)6(11)12;8-2-1-7(3-5(9)10)4-6(11)12/h3-4,7-8H,1-2H2,(H,9,10)(H,11,12);8H,1-4H2,(H,9,10)(H,11,12)
InChIKeyIYBHQWRAWGVTTI-UHFFFAOYSA-N
MW351.31 g/mol
LogP-3.46
Rot. Bonds8

About 2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid;piperazine-2,5-dicarboxylic acid

2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid;piperazine-2,5-dicarboxylic acid (PubChem CID 70563311) has the molecular formula C12H21N3O9 and a molecular weight of 351.31 g/mol. Its IUPAC name is 2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid;piperazine-2,5-dicarboxylic acid.

Molecular Properties

Compound Name2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid;piperazine-2,5-dicarboxylic acid
PubChem CID70563311
Molecular FormulaC12H21N3O9
Molecular Weight351.31 g/mol
Exact Mass351.13
IUPAC Name2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid;piperazine-2,5-dicarboxylic acid
SMILESO=C(O)C1CNC(C(=O)O)CN1.O=C(O)CN(CCO)CC(=O)O
InChIInChI=1S/C6H10N2O4.C6H11NO5/c9-5(10)3-1-7-4(2-8-3)6(11)12;8-2-1-7(3-5(9)10)4-6(11)12/h3-4,7-8H,1-2H2,(H,9,10)(H,11,12);8H,1-4H2,(H,9,10)(H,11,12)
InChIKeyIYBHQWRAWGVTTI-UHFFFAOYSA-N
XLogP-3.46
TPSA196.73 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.31
LogP ≤ 5-3.46
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

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Related Compounds

CID 87469111
CID 87469111
2-[bis(2-hydroxyethyl)amino]ethanol;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
CID 174421816
hexasodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetic acid;hydride
CID 173154313
azanium;2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetic acid;iron
CID 163360235
(2S,5R)-2-N,2-N,5-N,5-N-tetrakis(2-hydroxyethyl)piperazine-2,5-dicarboxamide
CID 132520855
2-(aziridin-1-yl)acetic acid;2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid
CID 87329814
2-[4-hydroxybutyl(2-hydroxyethyl)amino]acetic acid
CID 138080551
trisodium;tris(2-[carboxymethyl-[2-[carboxymethyl(2-hydroxyethyl)amino]ethyl]amino]acetate)
CID 173437538
CID 131881711
CID 131881711
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;palladium
CID 87646403
azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrogen peroxide
CID 118382822
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;yttrium(3+)
CID 23618997

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid;piperazine-2,5-dicarboxylic acid?
The IUPAC name of 2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid;piperazine-2,5-dicarboxylic acid (CID 70563311) is 2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid;piperazine-2,5-dicarboxylic acid.
What is the SMILES notation for 2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid;piperazine-2,5-dicarboxylic acid?
The canonical SMILES for 2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid;piperazine-2,5-dicarboxylic acid is O=C(O)C1CNC(C(=O)O)CN1.O=C(O)CN(CCO)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid;piperazine-2,5-dicarboxylic acid?
The InChIKey is IYBHQWRAWGVTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O4.C6H11NO5/c9-5(10)3-1-7-4(2-8-3)6(11)12;8-2-1-7(3-5(9)10)4-6(11)12/h3-4,7-8H,1-2H2,(H,9,10)(H,11,12);8H,1-4H2,(H,9,10)(H,11,12).
What are the key properties of 2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid;piperazine-2,5-dicarboxylic acid?
2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid;piperazine-2,5-dicarboxylic acid has a molecular weight of 351.31 g/mol, XLogP of -3.46, 8 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid;piperazine-2,5-dicarboxylic acid is sourced from PubChem (CID 70563311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).