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

C16H32N4O6 — CID 175812978

IUPAC2-[2-[carboxymethyl-[2-[carboxymethyl-[2-(ethylamino)ethyl]amino]ethyl]amino]ethyl-ethylamino]acetic acid
SMILESCCNCCN(CCN(CCN(CC)CC(=O)O)CC(=O)O)CC(=O)O
InChIInChI=1S/C16H32N4O6/c1-3-17-5-6-19(12-15(23)24)9-10-20(13-16(25)26)8-7-18(4-2)11-14(21)22/h17H,3-13H2,1-2H3,(H,21,22)(H,23,24)(H,25,26)
InChIKeyOMBXJEWKHUDPQV-UHFFFAOYSA-N
MW376.45 g/mol
LogP-1.22
Rot. Bonds17

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

2-[2-[carboxymethyl-[2-[carboxymethyl-[2-(ethylamino)ethyl]amino]ethyl]amino]ethyl-ethylamino]acetic acid (PubChem CID 175812978) has the molecular formula C16H32N4O6 and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-[2-[carboxymethyl-[2-[carboxymethyl-[2-(ethylamino)ethyl]amino]ethyl]amino]ethyl-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[carboxymethyl-[2-[carboxymethyl-[2-(ethylamino)ethyl]amino]ethyl]amino]ethyl-ethylamino]acetic acid
PubChem CID175812978
Molecular FormulaC16H32N4O6
Molecular Weight376.45 g/mol
Exact Mass376.23
IUPAC Name2-[2-[carboxymethyl-[2-[carboxymethyl-[2-(ethylamino)ethyl]amino]ethyl]amino]ethyl-ethylamino]acetic acid
SMILESCCNCCN(CCN(CCN(CC)CC(=O)O)CC(=O)O)CC(=O)O
InChIInChI=1S/C16H32N4O6/c1-3-17-5-6-19(12-15(23)24)9-10-20(13-16(25)26)8-7-18(4-2)11-14(21)22/h17H,3-13H2,1-2H3,(H,21,22)(H,23,24)(H,25,26)
InChIKeyOMBXJEWKHUDPQV-UHFFFAOYSA-N
XLogP-1.22
TPSA133.65 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 5-1.22
H-Bond Donors ≤ 54
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
3-[2-[2-[carboxymethyl-[2-(carboxymethylamino)ethyl]amino]ethyl-ethylamino]ethyl-propylamino]propanoic acid
CID 130195991
2-[2-[carboxymethyl(propyl)amino]ethylamino]acetic acid
CID 143929196
2-[ethyl-[2-[ethyl(2-oxopropyl)amino]ethyl]amino]acetic acid
CID 134601961
ethane;2-[ethyl(propyl)amino]acetic acid
CID 143677754
2-[butyl-[2-(butylamino)ethyl]amino]acetic acid
CID 102514170
propane;N,N',N'-triethylethane-1,2-diamine
CID 157059256
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[ethyl(2-oxoethyl)amino]ethyl]amino]acetic acid;ethane
CID 144635961
2-[2-[2-[2-[carboxymethyl(ethyl)amino]ethyl-[2-oxo-2-(propylamino)ethyl]amino]ethyl-(2-oxoethyl)amino]ethylamino]acetic acid
CID 122518440
3-[2-(diethylamino)ethylamino]propanoic acid
CID 28830296
2-[2-aminoethyl(ethyl)amino]acetic acid
CID 22667567
2-[2-[2-[carboxymethyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(2-methylpropyl)amino]ethylamino]acetic acid
CID 163563898

Frequently Asked Questions

What is the IUPAC name of 2-[2-[carboxymethyl-[2-[carboxymethyl-[2-(ethylamino)ethyl]amino]ethyl]amino]ethyl-ethylamino]acetic acid?
The IUPAC name of 2-[2-[carboxymethyl-[2-[carboxymethyl-[2-(ethylamino)ethyl]amino]ethyl]amino]ethyl-ethylamino]acetic acid (CID 175812978) is 2-[2-[carboxymethyl-[2-[carboxymethyl-[2-(ethylamino)ethyl]amino]ethyl]amino]ethyl-ethylamino]acetic acid.
What is the SMILES notation for 2-[2-[carboxymethyl-[2-[carboxymethyl-[2-(ethylamino)ethyl]amino]ethyl]amino]ethyl-ethylamino]acetic acid?
The canonical SMILES for 2-[2-[carboxymethyl-[2-[carboxymethyl-[2-(ethylamino)ethyl]amino]ethyl]amino]ethyl-ethylamino]acetic acid is CCNCCN(CCN(CCN(CC)CC(=O)O)CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[2-[carboxymethyl-[2-[carboxymethyl-[2-(ethylamino)ethyl]amino]ethyl]amino]ethyl-ethylamino]acetic acid?
The InChIKey is OMBXJEWKHUDPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O6/c1-3-17-5-6-19(12-15(23)24)9-10-20(13-16(25)26)8-7-18(4-2)11-14(21)22/h17H,3-13H2,1-2H3,(H,21,22)(H,23,24)(H,25,26).
What are the key properties of 2-[2-[carboxymethyl-[2-[carboxymethyl-[2-(ethylamino)ethyl]amino]ethyl]amino]ethyl-ethylamino]acetic acid?
2-[2-[carboxymethyl-[2-[carboxymethyl-[2-(ethylamino)ethyl]amino]ethyl]amino]ethyl-ethylamino]acetic acid has a molecular weight of 376.45 g/mol, XLogP of -1.22, 17 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[carboxymethyl-[2-[carboxymethyl-[2-(ethylamino)ethyl]amino]ethyl]amino]ethyl-ethylamino]acetic acid is sourced from PubChem (CID 175812978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).