2-[2-[carboxymethyl-[2-[2-[[2-[carboxymethyl-[2-[carboxymethyl-[2-[carboxymethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]-methylamino]ethyl-methylamino]-2-oxoethyl]amino]ethyl-[2-[carboxymethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]acetic acid

C34H60N10O16 — CID 22902817

IUPAC2-[2-[carboxymethyl-[2-[2-[[2-[carboxymethyl-[2-[carboxymethyl-[2-[carboxymethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]-methylamino]ethyl-methylamino]-2-oxoethyl]amino]ethyl-[2-[carboxymethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]acetic acid
SMILESCNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)N(C)CCN(C)C(=O)CN(CCN(CCN(CC(=O)O)CC(=O)NC)CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O
InChIInChI=1S/C34H60N10O16/c1-35-25(45)15-41(21-31(53)54)11-7-39(19-29(49)50)9-13-43(23-33(57)58)17-27(47)37(3)5-6-38(4)28(48)18-44(24-34(59)60)14-10-40(20-30(51)52)8-12-42(22-32(55)56)16-26(46)36-2/h5-24H2,1-4H3,(H,35,45)(H,36,46)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)
InChIKeyCRNCZXCVNXILFU-UHFFFAOYSA-N
MW864.91 g/mol
LogP-6.29
Rot. Bonds35

About 2-[2-[carboxymethyl-[2-[2-[[2-[carboxymethyl-[2-[carboxymethyl-[2-[carboxymethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]-methylamino]ethyl-methylamino]-2-oxoethyl]amino]ethyl-[2-[carboxymethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]acetic acid

2-[2-[carboxymethyl-[2-[2-[[2-[carboxymethyl-[2-[carboxymethyl-[2-[carboxymethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]-methylamino]ethyl-methylamino]-2-oxoethyl]amino]ethyl-[2-[carboxymethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]acetic acid (PubChem CID 22902817) has the molecular formula C34H60N10O16 and a molecular weight of 864.91 g/mol. Its IUPAC name is 2-[2-[carboxymethyl-[2-[2-[[2-[carboxymethyl-[2-[carboxymethyl-[2-[carboxymethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]-methylamino]ethyl-methylamino]-2-oxoethyl]amino]ethyl-[2-[carboxymethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-[carboxymethyl-[2-[2-[[2-[carboxymethyl-[2-[carboxymethyl-[2-[carboxymethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]-methylamino]ethyl-methylamino]-2-oxoethyl]amino]ethyl-[2-[carboxymethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]acetic acid
PubChem CID22902817
Molecular FormulaC34H60N10O16
Molecular Weight864.91 g/mol
Exact Mass864.42
IUPAC Name2-[2-[carboxymethyl-[2-[2-[[2-[carboxymethyl-[2-[carboxymethyl-[2-[carboxymethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]-methylamino]ethyl-methylamino]-2-oxoethyl]amino]ethyl-[2-[carboxymethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]acetic acid
SMILESCNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)N(C)CCN(C)C(=O)CN(CCN(CCN(CC(=O)O)CC(=O)NC)CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O
InChIInChI=1S/C34H60N10O16/c1-35-25(45)15-41(21-31(53)54)11-7-39(19-29(49)50)9-13-43(23-33(57)58)17-27(47)37(3)5-6-38(4)28(48)18-44(24-34(59)60)14-10-40(20-30(51)52)8-12-42(22-32(55)56)16-26(46)36-2/h5-24H2,1-4H3,(H,35,45)(H,36,46)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)
InChIKeyCRNCZXCVNXILFU-UHFFFAOYSA-N
XLogP-6.29
TPSA342.06 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds35
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500864.91
LogP ≤ 5-6.29
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze 2-[2-[carboxymethyl-[2-[2-[[2-[carboxymethyl-[2-[carboxymethyl-[2-[carboxymethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]-methylamino]ethyl-methylamino]-2-oxoethyl]amino]ethyl-[2-[carboxymethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[carboxymethyl-[2-[2-[[2-[carboxymethyl-[2-[carboxymethyl-[2-[carboxymethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]-methylamino]ethyl-methylamino]-2-oxoethyl]amino]ethyl-[2-[carboxymethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]acetic acid?
The IUPAC name of 2-[2-[carboxymethyl-[2-[2-[[2-[carboxymethyl-[2-[carboxymethyl-[2-[carboxymethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]-methylamino]ethyl-methylamino]-2-oxoethyl]amino]ethyl-[2-[carboxymethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]acetic acid (CID 22902817) is 2-[2-[carboxymethyl-[2-[2-[[2-[carboxymethyl-[2-[carboxymethyl-[2-[carboxymethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]-methylamino]ethyl-methylamino]-2-oxoethyl]amino]ethyl-[2-[carboxymethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[2-[carboxymethyl-[2-[2-[[2-[carboxymethyl-[2-[carboxymethyl-[2-[carboxymethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]-methylamino]ethyl-methylamino]-2-oxoethyl]amino]ethyl-[2-[carboxymethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]acetic acid?
The canonical SMILES for 2-[2-[carboxymethyl-[2-[2-[[2-[carboxymethyl-[2-[carboxymethyl-[2-[carboxymethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]-methylamino]ethyl-methylamino]-2-oxoethyl]amino]ethyl-[2-[carboxymethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]acetic acid is CNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)N(C)CCN(C)C(=O)CN(CCN(CCN(CC(=O)O)CC(=O)NC)CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[2-[carboxymethyl-[2-[2-[[2-[carboxymethyl-[2-[carboxymethyl-[2-[carboxymethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]-methylamino]ethyl-methylamino]-2-oxoethyl]amino]ethyl-[2-[carboxymethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]acetic acid?
The InChIKey is CRNCZXCVNXILFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H60N10O16/c1-35-25(45)15-41(21-31(53)54)11-7-39(19-29(49)50)9-13-43(23-33(57)58)17-27(47)37(3)5-6-38(4)28(48)18-44(24-34(59)60)14-10-40(20-30(51)52)8-12-42(22-32(55)56)16-26(46)36-2/h5-24H2,1-4H3,(H,35,45)(H,36,46)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60).
What are the key properties of 2-[2-[carboxymethyl-[2-[2-[[2-[carboxymethyl-[2-[carboxymethyl-[2-[carboxymethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]-methylamino]ethyl-methylamino]-2-oxoethyl]amino]ethyl-[2-[carboxymethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]acetic acid?
2-[2-[carboxymethyl-[2-[2-[[2-[carboxymethyl-[2-[carboxymethyl-[2-[carboxymethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]-methylamino]ethyl-methylamino]-2-oxoethyl]amino]ethyl-[2-[carboxymethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]acetic acid has a molecular weight of 864.91 g/mol, XLogP of -6.29, 35 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[carboxymethyl-[2-[2-[[2-[carboxymethyl-[2-[carboxymethyl-[2-[carboxymethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]-methylamino]ethyl-methylamino]-2-oxoethyl]amino]ethyl-[2-[carboxymethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]acetic acid is sourced from PubChem (CID 22902817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).