2-[2-[carboxymethyl-[2-(diethylamino)ethylcarbamoyl]amino]ethyl-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]amino]acetic acid

C21H42N6O6 — CID 24861222

IUPAC2-[2-[carboxymethyl-[2-(diethylamino)ethylcarbamoyl]amino]ethyl-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]amino]acetic acid
SMILESCCN(CC)CCNC(=O)CN(CCN(CC(=O)O)C(=O)NCCN(CC)CC)CC(=O)O
InChIInChI=1S/C21H42N6O6/c1-5-24(6-2)11-9-22-18(28)15-26(16-19(29)30)13-14-27(17-20(31)32)21(33)23-10-12-25(7-3)8-4/h5-17H2,1-4H3,(H,22,28)(H,23,33)(H,29,30)(H,31,32)
InChIKeyATISUXOBAGJIBO-UHFFFAOYSA-N
MW474.60 g/mol
LogP-0.73
Rot. Bonds19

About 2-[2-[carboxymethyl-[2-(diethylamino)ethylcarbamoyl]amino]ethyl-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]amino]acetic acid

2-[2-[carboxymethyl-[2-(diethylamino)ethylcarbamoyl]amino]ethyl-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]amino]acetic acid (PubChem CID 24861222) has the molecular formula C21H42N6O6 and a molecular weight of 474.60 g/mol. Its IUPAC name is 2-[2-[carboxymethyl-[2-(diethylamino)ethylcarbamoyl]amino]ethyl-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-[carboxymethyl-[2-(diethylamino)ethylcarbamoyl]amino]ethyl-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]amino]acetic acid
PubChem CID24861222
Molecular FormulaC21H42N6O6
Molecular Weight474.60 g/mol
Exact Mass474.32
IUPAC Name2-[2-[carboxymethyl-[2-(diethylamino)ethylcarbamoyl]amino]ethyl-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]amino]acetic acid
SMILESCCN(CC)CCNC(=O)CN(CCN(CC(=O)O)C(=O)NCCN(CC)CC)CC(=O)O
InChIInChI=1S/C21H42N6O6/c1-5-24(6-2)11-9-22-18(28)15-26(16-19(29)30)13-14-27(17-20(31)32)21(33)23-10-12-25(7-3)8-4/h5-17H2,1-4H3,(H,22,28)(H,23,33)(H,29,30)(H,31,32)
InChIKeyATISUXOBAGJIBO-UHFFFAOYSA-N
XLogP-0.73
TPSA145.76 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.60
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[2-[carboxymethyl-[2-(diethylamino)ethylcarbamoyl]amino]ethyl-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]amino]acetic acid with MolForge

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Related Compounds

2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-oxo-2-(tridecylamino)ethyl]amino]ethyl]amino]acetic acid
CID 87241288
2-[butan-2-yl-[2-(diethylamino)ethylcarbamoyl]amino]acetic acid
CID 61184394
2-[bis[2-[carboxymethyl-[2-oxo-2-(2-sulfanylethylamino)ethyl]amino]ethyl]amino]acetic acid
CID 5289611
2-[2-[bis(carboxymethyl)amino]ethyl-[2-oxo-2-(2-oxopropylamino)ethyl]amino]acetic acid;iron(2+)
CID 59081063
2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-[2-(hydroxyamino)ethylamino]-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 135234416
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-oxo-2-(2-sulfanylethylamino)ethyl]amino]ethyl]amino]acetic acid
CID 146388911
2-[butylcarbamoyl(propyl)amino]acetic acid
CID 61008492
2-[2-[carboxymethyl-[2-(hydroxymethylamino)-2-oxoethyl]amino]ethyl-[2-(hydroxymethylamino)-2-oxoethyl]amino]acetic acid
CID 71343143
2-[butylcarbamoyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107424410
2-[2-[bis(carboxymethyl)amino]ethyl-[2-(2-butoxyethylamino)-2-oxoethyl]amino]acetic acid
CID 23524479
2-[2-[carboxymethyl-[2-oxo-2-(2-sulfoethylamino)ethyl]amino]ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetic acid
CID 170689425
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-oxo-2-(3-oxopropylamino)ethyl]amino]ethyl]amino]acetic acid
CID 21305876

Frequently Asked Questions

What is the IUPAC name of 2-[2-[carboxymethyl-[2-(diethylamino)ethylcarbamoyl]amino]ethyl-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[2-[carboxymethyl-[2-(diethylamino)ethylcarbamoyl]amino]ethyl-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]amino]acetic acid (CID 24861222) is 2-[2-[carboxymethyl-[2-(diethylamino)ethylcarbamoyl]amino]ethyl-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[2-[carboxymethyl-[2-(diethylamino)ethylcarbamoyl]amino]ethyl-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[2-[carboxymethyl-[2-(diethylamino)ethylcarbamoyl]amino]ethyl-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]amino]acetic acid is CCN(CC)CCNC(=O)CN(CCN(CC(=O)O)C(=O)NCCN(CC)CC)CC(=O)O.
What is the InChIKey of 2-[2-[carboxymethyl-[2-(diethylamino)ethylcarbamoyl]amino]ethyl-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]amino]acetic acid?
The InChIKey is ATISUXOBAGJIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N6O6/c1-5-24(6-2)11-9-22-18(28)15-26(16-19(29)30)13-14-27(17-20(31)32)21(33)23-10-12-25(7-3)8-4/h5-17H2,1-4H3,(H,22,28)(H,23,33)(H,29,30)(H,31,32).
What are the key properties of 2-[2-[carboxymethyl-[2-(diethylamino)ethylcarbamoyl]amino]ethyl-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]amino]acetic acid?
2-[2-[carboxymethyl-[2-(diethylamino)ethylcarbamoyl]amino]ethyl-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]amino]acetic acid has a molecular weight of 474.60 g/mol, XLogP of -0.73, 19 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[carboxymethyl-[2-(diethylamino)ethylcarbamoyl]amino]ethyl-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 24861222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).