2-[2-[2-[carboxymethyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(2-methylpropyl)amino]ethylamino]acetic acid

C16H32N4O6 — CID 163563898

IUPAC2-[2-[2-[carboxymethyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(2-methylpropyl)amino]ethylamino]acetic acid
SMILESCC(C)CN(CCNCC(=O)O)CCN(CCNCC(=O)O)CC(=O)O
InChIInChI=1S/C16H32N4O6/c1-13(2)11-19(5-3-17-9-14(21)22)7-8-20(12-16(25)26)6-4-18-10-15(23)24/h13,17-18H,3-12H2,1-2H3,(H,21,22)(H,23,24)(H,25,26)
InChIKeyFTOGOKNLKKOGPV-UHFFFAOYSA-N
MW376.45 g/mol
LogP-1.32
Rot. Bonds17

About 2-[2-[2-[carboxymethyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(2-methylpropyl)amino]ethylamino]acetic acid

2-[2-[2-[carboxymethyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(2-methylpropyl)amino]ethylamino]acetic acid (PubChem CID 163563898) has the molecular formula C16H32N4O6 and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-[2-[2-[carboxymethyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(2-methylpropyl)amino]ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[carboxymethyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(2-methylpropyl)amino]ethylamino]acetic acid
PubChem CID163563898
Molecular FormulaC16H32N4O6
Molecular Weight376.45 g/mol
Exact Mass376.23
IUPAC Name2-[2-[2-[carboxymethyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(2-methylpropyl)amino]ethylamino]acetic acid
SMILESCC(C)CN(CCNCC(=O)O)CCN(CCNCC(=O)O)CC(=O)O
InChIInChI=1S/C16H32N4O6/c1-13(2)11-19(5-3-17-9-14(21)22)7-8-20(12-16(25)26)6-4-18-10-15(23)24/h13,17-18H,3-12H2,1-2H3,(H,21,22)(H,23,24)(H,25,26)
InChIKeyFTOGOKNLKKOGPV-UHFFFAOYSA-N
XLogP-1.32
TPSA142.44 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 5-1.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[carboxymethyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(2,2-dihydroxyethyl)amino]ethylamino]acetic acid
CID 163564559
2-[2-[carboxymethyl-[2-[carboxymethyl(ethyl)amino]ethyl]amino]ethylamino]acetic acid
CID 89045001
2-[2-[carboxymethyl(propyl)amino]ethylamino]acetic acid
CID 143929196
2-[2-[bis(carboxymethyl)amino]ethylamino]acetic acid;copper
CID 155766345
2-[2-[2-[tert-butyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(carboxymethyl)amino]ethylamino]acetic acid
CID 163915904
2-[2-[carboxymethyl(2-oxopropyl)amino]ethylamino]acetic acid
CID 89065642
3-[2-[2-[carboxymethyl-[2-(carboxymethylamino)ethyl]amino]ethyl-ethylamino]ethyl-propylamino]propanoic acid
CID 130195991
3-[2-acetamidoethyl(2-methylpropyl)amino]propanoic acid
CID 82328942
2-[2-[carboxymethyl-[2-(carboxymethylamino)ethyl]amino]ethylamino]-5-oxohexanoic acid
CID 174336280
2-[2-[carboxymethyl-[2-[carboxymethyl-[2-(ethylamino)ethyl]amino]ethyl]amino]ethyl-ethylamino]acetic acid
CID 175812978
2-[2-[carboxymethyl-[2-[carboxymethyl-[2-(carboxymethylamino)ethyl]amino]ethyl]amino]ethyl-(2-oxoethyl)amino]ethylazanide;propane;yttrium
CID 162738248
2-[ethyl(2-methylpropyl)amino]acetic acid
CID 43273893

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[carboxymethyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(2-methylpropyl)amino]ethylamino]acetic acid?
The IUPAC name of 2-[2-[2-[carboxymethyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(2-methylpropyl)amino]ethylamino]acetic acid (CID 163563898) is 2-[2-[2-[carboxymethyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(2-methylpropyl)amino]ethylamino]acetic acid.
What is the SMILES notation for 2-[2-[2-[carboxymethyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(2-methylpropyl)amino]ethylamino]acetic acid?
The canonical SMILES for 2-[2-[2-[carboxymethyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(2-methylpropyl)amino]ethylamino]acetic acid is CC(C)CN(CCNCC(=O)O)CCN(CCNCC(=O)O)CC(=O)O.
What is the InChIKey of 2-[2-[2-[carboxymethyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(2-methylpropyl)amino]ethylamino]acetic acid?
The InChIKey is FTOGOKNLKKOGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O6/c1-13(2)11-19(5-3-17-9-14(21)22)7-8-20(12-16(25)26)6-4-18-10-15(23)24/h13,17-18H,3-12H2,1-2H3,(H,21,22)(H,23,24)(H,25,26).
What are the key properties of 2-[2-[2-[carboxymethyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(2-methylpropyl)amino]ethylamino]acetic acid?
2-[2-[2-[carboxymethyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(2-methylpropyl)amino]ethylamino]acetic acid has a molecular weight of 376.45 g/mol, XLogP of -1.32, 17 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[carboxymethyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(2-methylpropyl)amino]ethylamino]acetic acid is sourced from PubChem (CID 163563898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).