2-[[6-[bis(carboxymethyl)amino]-5,6-dibutyldecan-5-yl]-(carboxymethyl)amino]acetic acid

C26H48N2O8 — CID 54571348

IUPAC2-[[6-[bis(carboxymethyl)amino]-5,6-dibutyldecan-5-yl]-(carboxymethyl)amino]acetic acid
SMILESCCCCC(CCCC)(N(CC(=O)O)CC(=O)O)C(CCCC)(CCCC)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C26H48N2O8/c1-5-9-13-25(14-10-6-2,27(17-21(29)30)18-22(31)32)26(15-11-7-3,16-12-8-4)28(19-23(33)34)20-24(35)36/h5-20H2,1-4H3,(H,29,30)(H,31,32)(H,33,34)(H,35,36)
InChIKeyZXLXBZOCSXHFOD-UHFFFAOYSA-N
MW516.68 g/mol
LogP4.17
Rot. Bonds23

About 2-[[6-[bis(carboxymethyl)amino]-5,6-dibutyldecan-5-yl]-(carboxymethyl)amino]acetic acid

2-[[6-[bis(carboxymethyl)amino]-5,6-dibutyldecan-5-yl]-(carboxymethyl)amino]acetic acid (PubChem CID 54571348) has the molecular formula C26H48N2O8 and a molecular weight of 516.68 g/mol. Its IUPAC name is 2-[[6-[bis(carboxymethyl)amino]-5,6-dibutyldecan-5-yl]-(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[6-[bis(carboxymethyl)amino]-5,6-dibutyldecan-5-yl]-(carboxymethyl)amino]acetic acid
PubChem CID54571348
Molecular FormulaC26H48N2O8
Molecular Weight516.68 g/mol
Exact Mass516.34
IUPAC Name2-[[6-[bis(carboxymethyl)amino]-5,6-dibutyldecan-5-yl]-(carboxymethyl)amino]acetic acid
SMILESCCCCC(CCCC)(N(CC(=O)O)CC(=O)O)C(CCCC)(CCCC)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C26H48N2O8/c1-5-9-13-25(14-10-6-2,27(17-21(29)30)18-22(31)32)26(15-11-7-3,16-12-8-4)28(19-23(33)34)20-24(35)36/h5-20H2,1-4H3,(H,29,30)(H,31,32)(H,33,34)(H,35,36)
InChIKeyZXLXBZOCSXHFOD-UHFFFAOYSA-N
XLogP4.17
TPSA155.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.68
LogP ≤ 54.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[6-[bis(carboxymethyl)amino]-5,6-dibutyldecan-5-yl]-(carboxymethyl)amino]acetic 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-amino-2-[bis(carboxymethyl)amino]hexanoic acid
CID 18668446
pentane-1,1,1-tricarboxylic acid
CID 19386814
2-[carboxymethyl(1,1-dihydroxyethyl)amino]acetic acid
CID 22044432
2-[[butyl(ethyl)carbamoyl]-(carboxymethyl)amino]acetic acid
CID 55247073
2-(dibutylamino)-2-methylhexanoic acid
CID 174674804
calcium;2-[dodecyl(methyl)amino]acetic acid;hydride
CID 173195427
2-[di(heptadecan-2-yl)amino]acetic acid
CID 87864248
2-[di(pentadecyl)amino]acetic acid
CID 101313622
2-[carboxymethyl(hexyl)amino]acetic acid
CID 23422372
2,2-dibutylbutanedioic acid
CID 22052925
3,3-bis(sulfanyl)heptanoic acid
CID 175423942
2-butyl-2-methylhexanoic acid
CID 15930803

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[bis(carboxymethyl)amino]-5,6-dibutyldecan-5-yl]-(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[[6-[bis(carboxymethyl)amino]-5,6-dibutyldecan-5-yl]-(carboxymethyl)amino]acetic acid (CID 54571348) is 2-[[6-[bis(carboxymethyl)amino]-5,6-dibutyldecan-5-yl]-(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[[6-[bis(carboxymethyl)amino]-5,6-dibutyldecan-5-yl]-(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[[6-[bis(carboxymethyl)amino]-5,6-dibutyldecan-5-yl]-(carboxymethyl)amino]acetic acid is CCCCC(CCCC)(N(CC(=O)O)CC(=O)O)C(CCCC)(CCCC)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[[6-[bis(carboxymethyl)amino]-5,6-dibutyldecan-5-yl]-(carboxymethyl)amino]acetic acid?
The InChIKey is ZXLXBZOCSXHFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48N2O8/c1-5-9-13-25(14-10-6-2,27(17-21(29)30)18-22(31)32)26(15-11-7-3,16-12-8-4)28(19-23(33)34)20-24(35)36/h5-20H2,1-4H3,(H,29,30)(H,31,32)(H,33,34)(H,35,36).
What are the key properties of 2-[[6-[bis(carboxymethyl)amino]-5,6-dibutyldecan-5-yl]-(carboxymethyl)amino]acetic acid?
2-[[6-[bis(carboxymethyl)amino]-5,6-dibutyldecan-5-yl]-(carboxymethyl)amino]acetic acid has a molecular weight of 516.68 g/mol, XLogP of 4.17, 23 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[bis(carboxymethyl)amino]-5,6-dibutyldecan-5-yl]-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 54571348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).