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

C16H32N4O6 — CID 163915904

IUPAC2-[2-[2-[tert-butyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(carboxymethyl)amino]ethylamino]acetic acid
SMILESCC(C)(C)N(CCNCC(=O)O)CCN(CCNCC(=O)O)CC(=O)O
InChIInChI=1S/C16H32N4O6/c1-16(2,3)20(7-5-18-11-14(23)24)9-8-19(12-15(25)26)6-4-17-10-13(21)22/h17-18H,4-12H2,1-3H3,(H,21,22)(H,23,24)(H,25,26)
InChIKeyQWFHBHXBXDDQCJ-UHFFFAOYSA-N
MW376.45 g/mol
LogP-1.18
Rot. Bonds15

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

2-[2-[2-[tert-butyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(carboxymethyl)amino]ethylamino]acetic acid (PubChem CID 163915904) has the molecular formula C16H32N4O6 and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-[2-[2-[tert-butyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(carboxymethyl)amino]ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[tert-butyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(carboxymethyl)amino]ethylamino]acetic acid
PubChem CID163915904
Molecular FormulaC16H32N4O6
Molecular Weight376.45 g/mol
Exact Mass376.23
IUPAC Name2-[2-[2-[tert-butyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(carboxymethyl)amino]ethylamino]acetic acid
SMILESCC(C)(C)N(CCNCC(=O)O)CCN(CCNCC(=O)O)CC(=O)O
InChIInChI=1S/C16H32N4O6/c1-16(2,3)20(7-5-18-11-14(23)24)9-8-19(12-15(25)26)6-4-17-10-13(21)22/h17-18H,4-12H2,1-3H3,(H,21,22)(H,23,24)(H,25,26)
InChIKeyQWFHBHXBXDDQCJ-UHFFFAOYSA-N
XLogP-1.18
TPSA142.44 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 5-1.18
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-[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-[carboxymethyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(2-methylpropyl)amino]ethylamino]acetic acid
CID 163563898
2-[2-[carboxymethyl(2-oxopropyl)amino]ethylamino]acetic acid
CID 89065642
2-[2-[2-[carboxymethyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(2,2-dihydroxyethyl)amino]ethylamino]acetic acid
CID 163564559
3-[2-[2-[carboxymethyl-[2-(carboxymethylamino)ethyl]amino]ethyl-ethylamino]ethyl-propylamino]propanoic acid
CID 130195991
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-[2-[carboxymethyl-[2-(carboxymethylamino)ethyl]amino]ethylamino]-5-oxohexanoic acid
CID 174336280
2-[(2-methoxy-2-oxoethyl)-[2-[(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetic acid
CID 23196993
2-[2-[2-[2-[carboxymethyl(ethyl)amino]ethyl-[2-oxo-2-(propylamino)ethyl]amino]ethyl-(2-oxoethyl)amino]ethylamino]acetic acid
CID 122518440

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[tert-butyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(carboxymethyl)amino]ethylamino]acetic acid?
The IUPAC name of 2-[2-[2-[tert-butyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(carboxymethyl)amino]ethylamino]acetic acid (CID 163915904) is 2-[2-[2-[tert-butyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(carboxymethyl)amino]ethylamino]acetic acid.
What is the SMILES notation for 2-[2-[2-[tert-butyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(carboxymethyl)amino]ethylamino]acetic acid?
The canonical SMILES for 2-[2-[2-[tert-butyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(carboxymethyl)amino]ethylamino]acetic acid is CC(C)(C)N(CCNCC(=O)O)CCN(CCNCC(=O)O)CC(=O)O.
What is the InChIKey of 2-[2-[2-[tert-butyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(carboxymethyl)amino]ethylamino]acetic acid?
The InChIKey is QWFHBHXBXDDQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O6/c1-16(2,3)20(7-5-18-11-14(23)24)9-8-19(12-15(25)26)6-4-17-10-13(21)22/h17-18H,4-12H2,1-3H3,(H,21,22)(H,23,24)(H,25,26).
What are the key properties of 2-[2-[2-[tert-butyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(carboxymethyl)amino]ethylamino]acetic acid?
2-[2-[2-[tert-butyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(carboxymethyl)amino]ethylamino]acetic acid has a molecular weight of 376.45 g/mol, XLogP of -1.18, 15 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[tert-butyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(carboxymethyl)amino]ethylamino]acetic acid is sourced from PubChem (CID 163915904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).