copper 2-[bis(carboxymethyl)amino]pentanedioic acid

C9H13CuNO8+2 — CID 91664372

IUPACcopper 2-[bis(carboxymethyl)amino]pentanedioic acid
SMILESO=C(O)CCC(C(=O)O)N(CC(=O)O)CC(=O)O.[Cu+2]
InChIInChI=1S/C9H13NO8.Cu/c11-6(12)2-1-5(9(17)18)10(3-7(13)14)4-8(15)16;/h5H,1-4H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18);/q;+2
InChIKeyAPEDNCSWAYVZKB-UHFFFAOYSA-N
MW326.75 g/mol
LogP-1.23
Rot. Bonds9

About copper 2-[bis(carboxymethyl)amino]pentanedioic acid

copper 2-[bis(carboxymethyl)amino]pentanedioic acid (PubChem CID 91664372) has the molecular formula C9H13CuNO8+2 and a molecular weight of 326.75 g/mol. Its IUPAC name is copper 2-[bis(carboxymethyl)amino]pentanedioic acid.

Molecular Properties

Compound Namecopper 2-[bis(carboxymethyl)amino]pentanedioic acid
PubChem CID91664372
Molecular FormulaC9H13CuNO8+2
Molecular Weight326.75 g/mol
Exact Mass325.99
IUPAC Namecopper 2-[bis(carboxymethyl)amino]pentanedioic acid
SMILESO=C(O)CCC(C(=O)O)N(CC(=O)O)CC(=O)O.[Cu+2]
InChIInChI=1S/C9H13NO8.Cu/c11-6(12)2-1-5(9(17)18)10(3-7(13)14)4-8(15)16;/h5H,1-4H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18);/q;+2
InChIKeyAPEDNCSWAYVZKB-UHFFFAOYSA-N
XLogP-1.23
TPSA152.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.75
LogP ≤ 5-1.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze copper 2-[bis(carboxymethyl)amino]pentanedioic 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

2-[bis(carboxymethyl)amino]-4-chlorobutanoic acid
CID 123429639
(2S)-2-[bis(carboxymethyl)amino]butanoic acid
CID 18664115
trisodium;(2S)-2-[bis(carboxymethyl)amino]-3-hydroxypropanoic acid
CID 91979731
2-[bis(carboxymethyl)amino]butanoic acid
CID 22935674
2-[bis(carboxymethyl)amino]-5-hydroperoxypentanoic acid
CID 59941977
5-[4,8-bis[4-[bis(carboxymethyl)amino]-4-carboxybutanoyl]-11-(3-carboxypropanoyl)-1,4,8,11-tetrazacyclotetradec-1-yl]-2-[carboxymethyl(2-oxopropyl)amino]-5-oxopentanoic acid
CID 126722884
2-[bis(carboxymethyl)amino]-6-[[6-[[5-[bis(carboxymethyl)amino]-5-carboxypentyl]amino]-6-oxohexanoyl]amino]hexanoic acid
CID 102163683
2-[hydroxy(phosphonomethyl)amino]pentanedioic acid
CID 87463060
2-[bis(1-carboxyethyl)amino]pentanedioic acid
CID 22280241
(2S)-2-[di(prop-2-enoyl)amino]pentanedioic acid
CID 57114411
2-[bis(carboxymethyl)amino]-6-[(2-hydroxyacetyl)amino]hexanoic acid
CID 176827256
2-[2-carboxyethyl(2-oxopropyl)amino]pentanoic acid
CID 82329130

Frequently Asked Questions

What is the IUPAC name of copper 2-[bis(carboxymethyl)amino]pentanedioic acid?
The IUPAC name of copper 2-[bis(carboxymethyl)amino]pentanedioic acid (CID 91664372) is copper 2-[bis(carboxymethyl)amino]pentanedioic acid.
What is the SMILES notation for copper 2-[bis(carboxymethyl)amino]pentanedioic acid?
The canonical SMILES for copper 2-[bis(carboxymethyl)amino]pentanedioic acid is O=C(O)CCC(C(=O)O)N(CC(=O)O)CC(=O)O.[Cu+2].
What is the InChIKey of copper 2-[bis(carboxymethyl)amino]pentanedioic acid?
The InChIKey is APEDNCSWAYVZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO8.Cu/c11-6(12)2-1-5(9(17)18)10(3-7(13)14)4-8(15)16;/h5H,1-4H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18);/q;+2.
What are the key properties of copper 2-[bis(carboxymethyl)amino]pentanedioic acid?
copper 2-[bis(carboxymethyl)amino]pentanedioic acid has a molecular weight of 326.75 g/mol, XLogP of -1.23, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for copper 2-[bis(carboxymethyl)amino]pentanedioic acid is sourced from PubChem (CID 91664372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).