2-[2-(carboxymethylamino)-1-hydroxy-2-oxoethyl]butanedioic acid

C8H11NO8 — CID 24800405

IUPAC2-[2-(carboxymethylamino)-1-hydroxy-2-oxoethyl]butanedioic acid
SMILESO=C(O)CNC(=O)C(O)C(CC(=O)O)C(=O)O
InChIInChI=1S/C8H11NO8/c10-4(11)1-3(8(16)17)6(14)7(15)9-2-5(12)13/h3,6,14H,1-2H2,(H,9,15)(H,10,11)(H,12,13)(H,16,17)
InChIKeyIKTXUZHVZMDQFK-UHFFFAOYSA-N
MW249.17 g/mol
LogP-2.28
Rot. Bonds7

About 2-[2-(carboxymethylamino)-1-hydroxy-2-oxoethyl]butanedioic acid

2-[2-(carboxymethylamino)-1-hydroxy-2-oxoethyl]butanedioic acid (PubChem CID 24800405) has the molecular formula C8H11NO8 and a molecular weight of 249.17 g/mol. Its IUPAC name is 2-[2-(carboxymethylamino)-1-hydroxy-2-oxoethyl]butanedioic acid.

Molecular Properties

Compound Name2-[2-(carboxymethylamino)-1-hydroxy-2-oxoethyl]butanedioic acid
PubChem CID24800405
Molecular FormulaC8H11NO8
Molecular Weight249.17 g/mol
Exact Mass249.05
IUPAC Name2-[2-(carboxymethylamino)-1-hydroxy-2-oxoethyl]butanedioic acid
SMILESO=C(O)CNC(=O)C(O)C(CC(=O)O)C(=O)O
InChIInChI=1S/C8H11NO8/c10-4(11)1-3(8(16)17)6(14)7(15)9-2-5(12)13/h3,6,14H,1-2H2,(H,9,15)(H,10,11)(H,12,13)(H,16,17)
InChIKeyIKTXUZHVZMDQFK-UHFFFAOYSA-N
XLogP-2.28
TPSA161.23 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.17
LogP ≤ 5-2.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 2-[2-(carboxymethylamino)-1-hydroxy-2-oxoethyl]butanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 141140377
butane-1,2,3,4-tetracarboxylic acid;molecular hydrogen
CID 173003473
2-[[(3S)-2-hydroxy-5-methyl-3-(methylamino)hexanoyl]amino]acetic acid
CID 58605317
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;1-hydroxypropane-1,2,3-tricarboxylic acid
CID 18977026
2-(2-sulfanylpropanoylamino)acetic acid
CID 5483
2-(1,2-dihydroxypropyl)butanedioic acid
CID 123477214
(3S)-4-(carboxymethylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
CID 15200226
CID 90459779
CID 90459779
2,3-dihydroxy-N,N'-bis(hydroxymethyl)butanediamide
CID 5088002
potassium (2R,3R)-2-(carboxymethyl)-3,4-dihydroxy-4-oxobutanoate
CID 122361543
2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]acetic acid
CID 3246319
(2R,3R)-3-(carboxymethyl)-2-hydroxy-4-oxopentanedioic acid;(2S,3R)-3-(carboxymethyl)-2-hydroxy-4-oxopentanedioic acid;(2R,3S)-3-(carboxymethyl)-2-hydroxy-4-oxopentanedioic acid;(2S,3S)-3-(carboxymethyl)-2-hydroxy-4-oxopentanedioic acid;3-(carboxymethyl)-2-hydroxy-4-oxopentanedioic acid;methane
CID 158909467

Frequently Asked Questions

What is the IUPAC name of 2-[2-(carboxymethylamino)-1-hydroxy-2-oxoethyl]butanedioic acid?
The IUPAC name of 2-[2-(carboxymethylamino)-1-hydroxy-2-oxoethyl]butanedioic acid (CID 24800405) is 2-[2-(carboxymethylamino)-1-hydroxy-2-oxoethyl]butanedioic acid.
What is the SMILES notation for 2-[2-(carboxymethylamino)-1-hydroxy-2-oxoethyl]butanedioic acid?
The canonical SMILES for 2-[2-(carboxymethylamino)-1-hydroxy-2-oxoethyl]butanedioic acid is O=C(O)CNC(=O)C(O)C(CC(=O)O)C(=O)O.
What is the InChIKey of 2-[2-(carboxymethylamino)-1-hydroxy-2-oxoethyl]butanedioic acid?
The InChIKey is IKTXUZHVZMDQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO8/c10-4(11)1-3(8(16)17)6(14)7(15)9-2-5(12)13/h3,6,14H,1-2H2,(H,9,15)(H,10,11)(H,12,13)(H,16,17).
What are the key properties of 2-[2-(carboxymethylamino)-1-hydroxy-2-oxoethyl]butanedioic acid?
2-[2-(carboxymethylamino)-1-hydroxy-2-oxoethyl]butanedioic acid has a molecular weight of 249.17 g/mol, XLogP of -2.28, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(carboxymethylamino)-1-hydroxy-2-oxoethyl]butanedioic acid is sourced from PubChem (CID 24800405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).