2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;icosakis(pentanoic acid)

C110H216N2O48 — CID 173206314

IUPAC2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;icosakis(pentanoic acid)
SMILESCCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O
InChIInChI=1S/C10H16N2O8.20C5H10O2/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;20*1-2-3-4-5(6)7/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);20*2-4H2,1H3,(H,6,7)
InChIKeyBAPAELZILDPVCU-UHFFFAOYSA-N
MW2334.90 g/mol
LogP23.15
Rot. Bonds71

About 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;icosakis(pentanoic acid)

2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;icosakis(pentanoic acid) (PubChem CID 173206314) has the molecular formula C110H216N2O48 and a molecular weight of 2334.90 g/mol. Its IUPAC name is 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;icosakis(pentanoic acid).

Molecular Properties

Compound Name2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;icosakis(pentanoic acid)
PubChem CID173206314
Molecular FormulaC110H216N2O48
Molecular Weight2334.90 g/mol
Exact Mass2333.45
IUPAC Name2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;icosakis(pentanoic acid)
SMILESCCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O
InChIInChI=1S/C10H16N2O8.20C5H10O2/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;20*1-2-3-4-5(6)7/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);20*2-4H2,1H3,(H,6,7)
InChIKeyBAPAELZILDPVCU-UHFFFAOYSA-N
XLogP23.15
TPSA901.68 Ų
H-Bond Donors24
H-Bond Acceptors26
Rotatable Bonds71
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002334.90
LogP ≤ 523.15
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1026

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Related Compounds

2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hexanedioic acid
CID 88599589
ethane;pentanoic acid
CID 142198531
2-[carboxymethyl(hexyl)amino]acetic acid
CID 23422372
5-[bis(carboxymethyl)amino]pentanoic acid
CID 23422745
bis(4-[bis(carboxymethyl)amino]butanoic acid);2-[2-[carboxymethyl(ethyl)amino]ethyl-ethylamino]acetic acid;ethanamine
CID 173160493
pentanoic acid;silver
CID 87285302
lanthanum;pentanoic acid
CID 88604988
CID 159436476
CID 159436476
pentanoic acid;stannane
CID 173249748
bis(N,N-dibutylbutan-1-amine);pentanedioic acid
CID 173189158
4-[2-[3-carboxypropyl(dodecyl)amino]ethyl-dodecylamino]butanoic acid
CID 156699856
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-(dibutylamino)-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 10278870

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;icosakis(pentanoic acid)?
The IUPAC name of 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;icosakis(pentanoic acid) (CID 173206314) is 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;icosakis(pentanoic acid).
What is the SMILES notation for 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;icosakis(pentanoic acid)?
The canonical SMILES for 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;icosakis(pentanoic acid) is CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;icosakis(pentanoic acid)?
The InChIKey is BAPAELZILDPVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O8.20C5H10O2/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;20*1-2-3-4-5(6)7/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);20*2-4H2,1H3,(H,6,7).
What are the key properties of 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;icosakis(pentanoic acid)?
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;icosakis(pentanoic acid) has a molecular weight of 2334.90 g/mol, XLogP of 23.15, 71 rotatable bonds, 24 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;icosakis(pentanoic acid) is sourced from PubChem (CID 173206314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).