2-[2-[2-[2-[2-[2-acetamidoethyl-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)carbamoyl]amino]ethylcarbamoyl-(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid

C32H55N7O19 — CID 21305817

IUPAC2-[2-[2-[2-[2-[2-acetamidoethyl-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)carbamoyl]amino]ethylcarbamoyl-(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid
SMILESCC(=O)NCCN(CCNC(=O)N(CCOCCOCCN(CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N(CCOCCOCCN(CC(=O)O)CC(=O)O)CC(=O)O
InChIInChI=1S/C32H55N7O19/c1-24(40)33-2-4-37(32(54)39(23-30(51)52)9-13-58-17-15-56-11-7-36(20-27(45)46)21-28(47)48)5-3-34-31(53)38(22-29(49)50)8-12-57-16-14-55-10-6-35(18-25(41)42)19-26(43)44/h2-23H2,1H3,(H,33,40)(H,34,53)(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52)
InChIKeyYTVOOYYZUKUQED-UHFFFAOYSA-N
MW841.82 g/mol
LogP-3.96
Rot. Bonds36

About 2-[2-[2-[2-[2-[2-acetamidoethyl-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)carbamoyl]amino]ethylcarbamoyl-(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid

2-[2-[2-[2-[2-[2-acetamidoethyl-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)carbamoyl]amino]ethylcarbamoyl-(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid (PubChem CID 21305817) has the molecular formula C32H55N7O19 and a molecular weight of 841.82 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-acetamidoethyl-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)carbamoyl]amino]ethylcarbamoyl-(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-acetamidoethyl-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)carbamoyl]amino]ethylcarbamoyl-(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid
PubChem CID21305817
Molecular FormulaC32H55N7O19
Molecular Weight841.82 g/mol
Exact Mass841.36
IUPAC Name2-[2-[2-[2-[2-[2-acetamidoethyl-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)carbamoyl]amino]ethylcarbamoyl-(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid
SMILESCC(=O)NCCN(CCNC(=O)N(CCOCCOCCN(CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N(CCOCCOCCN(CC(=O)O)CC(=O)O)CC(=O)O
InChIInChI=1S/C32H55N7O19/c1-24(40)33-2-4-37(32(54)39(23-30(51)52)9-13-58-17-15-56-11-7-36(20-27(45)46)21-28(47)48)5-3-34-31(53)38(22-29(49)50)8-12-57-16-14-55-10-6-35(18-25(41)42)19-26(43)44/h2-23H2,1H3,(H,33,40)(H,34,53)(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52)
InChIKeyYTVOOYYZUKUQED-UHFFFAOYSA-N
XLogP-3.96
TPSA352.19 Ų
H-Bond Donors8
H-Bond Acceptors15
Rotatable Bonds36
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500841.82
LogP ≤ 5-3.96
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[2-[2-[2-[2-acetamidoethyl-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)carbamoyl]amino]ethylcarbamoyl-(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-acetamidoethyl-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)carbamoyl]amino]ethylcarbamoyl-(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[2-[2-[2-[2-[2-acetamidoethyl-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)carbamoyl]amino]ethylcarbamoyl-(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid (CID 21305817) is 2-[2-[2-[2-[2-[2-acetamidoethyl-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)carbamoyl]amino]ethylcarbamoyl-(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-acetamidoethyl-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)carbamoyl]amino]ethylcarbamoyl-(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[2-[2-[2-[2-[2-acetamidoethyl-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)carbamoyl]amino]ethylcarbamoyl-(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid is CC(=O)NCCN(CCNC(=O)N(CCOCCOCCN(CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N(CCOCCOCCN(CC(=O)O)CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[2-[2-[2-[2-[2-acetamidoethyl-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)carbamoyl]amino]ethylcarbamoyl-(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid?
The InChIKey is YTVOOYYZUKUQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H55N7O19/c1-24(40)33-2-4-37(32(54)39(23-30(51)52)9-13-58-17-15-56-11-7-36(20-27(45)46)21-28(47)48)5-3-34-31(53)38(22-29(49)50)8-12-57-16-14-55-10-6-35(18-25(41)42)19-26(43)44/h2-23H2,1H3,(H,33,40)(H,34,53)(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52).
What are the key properties of 2-[2-[2-[2-[2-[2-acetamidoethyl-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)carbamoyl]amino]ethylcarbamoyl-(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid?
2-[2-[2-[2-[2-[2-acetamidoethyl-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)carbamoyl]amino]ethylcarbamoyl-(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid has a molecular weight of 841.82 g/mol, XLogP of -3.96, 36 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-acetamidoethyl-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)carbamoyl]amino]ethylcarbamoyl-(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 21305817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).