2-[(2-carboxy-2-hydroxyethyl)amino]butanedioic acid

C7H11NO7 — CID 86177023

IUPAC2-[(2-carboxy-2-hydroxyethyl)amino]butanedioic acid
SMILESO=C(O)CC(NCC(O)C(=O)O)C(=O)O
InChIInChI=1S/C7H11NO7/c9-4(7(14)15)2-8-3(6(12)13)1-5(10)11/h3-4,8-9H,1-2H2,(H,10,11)(H,12,13)(H,14,15)
InChIKeyGSXSVLOCTWNFIJ-UHFFFAOYSA-N
MW221.16 g/mol
LogP-2.05
Rot. Bonds7

About 2-[(2-carboxy-2-hydroxyethyl)amino]butanedioic acid

2-[(2-carboxy-2-hydroxyethyl)amino]butanedioic acid (PubChem CID 86177023) has the molecular formula C7H11NO7 and a molecular weight of 221.16 g/mol. Its IUPAC name is 2-[(2-carboxy-2-hydroxyethyl)amino]butanedioic acid.

Molecular Properties

Compound Name2-[(2-carboxy-2-hydroxyethyl)amino]butanedioic acid
PubChem CID86177023
Molecular FormulaC7H11NO7
Molecular Weight221.16 g/mol
Exact Mass221.05
IUPAC Name2-[(2-carboxy-2-hydroxyethyl)amino]butanedioic acid
SMILESO=C(O)CC(NCC(O)C(=O)O)C(=O)O
InChIInChI=1S/C7H11NO7/c9-4(7(14)15)2-8-3(6(12)13)1-5(10)11/h3-4,8-9H,1-2H2,(H,10,11)(H,12,13)(H,14,15)
InChIKeyGSXSVLOCTWNFIJ-UHFFFAOYSA-N
XLogP-2.05
TPSA144.16 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.16
LogP ≤ 5-2.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 2-[(2-carboxy-2-hydroxyethyl)amino]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

(2S)-2-[[(2S)-2-hydroxypropyl]amino]butanedioic acid
CID 57178792
2-[[2-(1,2-dicarboxyethylamino)-2-hydroxyethyl]amino]butanedioic acid
CID 20776652
(2S)-2-[[3-[[(1S)-1,2-dicarboxyethyl]amino]-2-methylpropyl]amino]butanedioic acid
CID 18394492
(2S)-2-[(3-amino-2-hydroxypropyl)amino]butanedioic acid
CID 131850253
2-[2-(1,2-dicarboxyethylamino)propylamino]butanedioic acid
CID 22590659
(2S)-2-(2-chloropropylamino)butanedioic acid
CID 87454603
(2S)-2-[(2-carboxy-2-hydroxyethyl)amino]-4-methylpentanoic acid
CID 91147914
(2S)-2-[[(2S)-2-[[(2S)-2-amino-2-carboxyethyl]amino]-2-carboxyethyl]amino]butanedioic acid
CID 129078576
(2S)-2-(2-aminoethylamino)butanedioic acid;hydrochloride
CID 171935544
2-hydroxybutanedioic acid;iron
CID 174146167
cobalt;2-hydroxybutanedioic acid
CID 87544145
carbonic acid;2-hydroxybutanedioic acid
CID 160732172

Frequently Asked Questions

What is the IUPAC name of 2-[(2-carboxy-2-hydroxyethyl)amino]butanedioic acid?
The IUPAC name of 2-[(2-carboxy-2-hydroxyethyl)amino]butanedioic acid (CID 86177023) is 2-[(2-carboxy-2-hydroxyethyl)amino]butanedioic acid.
What is the SMILES notation for 2-[(2-carboxy-2-hydroxyethyl)amino]butanedioic acid?
The canonical SMILES for 2-[(2-carboxy-2-hydroxyethyl)amino]butanedioic acid is O=C(O)CC(NCC(O)C(=O)O)C(=O)O.
What is the InChIKey of 2-[(2-carboxy-2-hydroxyethyl)amino]butanedioic acid?
The InChIKey is GSXSVLOCTWNFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO7/c9-4(7(14)15)2-8-3(6(12)13)1-5(10)11/h3-4,8-9H,1-2H2,(H,10,11)(H,12,13)(H,14,15).
What are the key properties of 2-[(2-carboxy-2-hydroxyethyl)amino]butanedioic acid?
2-[(2-carboxy-2-hydroxyethyl)amino]butanedioic acid has a molecular weight of 221.16 g/mol, XLogP of -2.05, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-carboxy-2-hydroxyethyl)amino]butanedioic acid is sourced from PubChem (CID 86177023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).