2-[2-[2-[2-[carboxymethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]ethoxy]ethoxy]ethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid

C22H42N4O8 — CID 102241734

IUPAC2-[2-[2-[2-[carboxymethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]ethoxy]ethoxy]ethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid
SMILESCC(C)CNC(=O)CN(CCOCCOCCN(CC(=O)O)CC(=O)NCC(C)C)CC(=O)O
InChIInChI=1S/C22H42N4O8/c1-17(2)11-23-19(27)13-25(15-21(29)30)5-7-33-9-10-34-8-6-26(16-22(31)32)14-20(28)24-12-18(3)4/h17-18H,5-16H2,1-4H3,(H,23,27)(H,24,28)(H,29,30)(H,31,32)
InChIKeyYFHKJFURQXLCIR-UHFFFAOYSA-N
MW490.60 g/mol
LogP-0.66
Rot. Bonds21

About 2-[2-[2-[2-[carboxymethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]ethoxy]ethoxy]ethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid

2-[2-[2-[2-[carboxymethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]ethoxy]ethoxy]ethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid (PubChem CID 102241734) has the molecular formula C22H42N4O8 and a molecular weight of 490.60 g/mol. Its IUPAC name is 2-[2-[2-[2-[carboxymethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]ethoxy]ethoxy]ethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[2-[carboxymethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]ethoxy]ethoxy]ethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid
PubChem CID102241734
Molecular FormulaC22H42N4O8
Molecular Weight490.60 g/mol
Exact Mass490.30
IUPAC Name2-[2-[2-[2-[carboxymethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]ethoxy]ethoxy]ethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid
SMILESCC(C)CNC(=O)CN(CCOCCOCCN(CC(=O)O)CC(=O)NCC(C)C)CC(=O)O
InChIInChI=1S/C22H42N4O8/c1-17(2)11-23-19(27)13-25(15-21(29)30)5-7-33-9-10-34-8-6-26(16-22(31)32)14-20(28)24-12-18(3)4/h17-18H,5-16H2,1-4H3,(H,23,27)(H,24,28)(H,29,30)(H,31,32)
InChIKeyYFHKJFURQXLCIR-UHFFFAOYSA-N
XLogP-0.66
TPSA157.74 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 5-0.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[carboxymethyl-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]amino]acetic acid
CID 177180720
3-[2-carboxyethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]propanoic acid
CID 82327299
2-[(2-amino-2-oxoethyl)-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid
CID 107440295
2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid;bis(2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid);ethene
CID 173205461
2-[bis[2-[[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-(carboxymethyl)amino]ethyl]amino]acetic acid
CID 22943944
2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]-N-propylacetamide
CID 170012060
2-[carboxymethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid
CID 63645647
2-methyl-3-[3-methylbutyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]propanoic acid
CID 82327324
carbanide;2-[carboxymethyl-[2-[2-[2-(2-methylbutoxy)ethoxy]ethoxy]ethyl]amino]acetic acid;copper
CID 22956668
acetic acid;O-[2-(2-aminooxyethoxy)ethyl]hydroxylamine;2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid
CID 173046052
2-[carboxymethyl-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl]amino]acetic acid
CID 152544554
2-[2-[bis(carboxymethyl)amino]ethyl-[2-(2-butoxyethylamino)-2-oxoethyl]amino]acetic acid
CID 23524479

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[carboxymethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]ethoxy]ethoxy]ethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[2-[2-[2-[carboxymethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]ethoxy]ethoxy]ethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid (CID 102241734) is 2-[2-[2-[2-[carboxymethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]ethoxy]ethoxy]ethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[2-[2-[2-[carboxymethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]ethoxy]ethoxy]ethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[2-[2-[2-[carboxymethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]ethoxy]ethoxy]ethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid is CC(C)CNC(=O)CN(CCOCCOCCN(CC(=O)O)CC(=O)NCC(C)C)CC(=O)O.
What is the InChIKey of 2-[2-[2-[2-[carboxymethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]ethoxy]ethoxy]ethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid?
The InChIKey is YFHKJFURQXLCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N4O8/c1-17(2)11-23-19(27)13-25(15-21(29)30)5-7-33-9-10-34-8-6-26(16-22(31)32)14-20(28)24-12-18(3)4/h17-18H,5-16H2,1-4H3,(H,23,27)(H,24,28)(H,29,30)(H,31,32).
What are the key properties of 2-[2-[2-[2-[carboxymethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]ethoxy]ethoxy]ethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid?
2-[2-[2-[2-[carboxymethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]ethoxy]ethoxy]ethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid has a molecular weight of 490.60 g/mol, XLogP of -0.66, 21 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[carboxymethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]ethoxy]ethoxy]ethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 102241734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).