2-[2-(carboxymethoxy)ethyl-[2-(hexanoylamino)ethyl]amino]acetic acid

C14H26N2O6 — CID 135346649

IUPAC2-[2-(carboxymethoxy)ethyl-[2-(hexanoylamino)ethyl]amino]acetic acid
SMILESCCCCCC(=O)NCCN(CCOCC(=O)O)CC(=O)O
InChIInChI=1S/C14H26N2O6/c1-2-3-4-5-12(17)15-6-7-16(10-13(18)19)8-9-22-11-14(20)21/h2-11H2,1H3,(H,15,17)(H,18,19)(H,20,21)
InChIKeyWXMIZOPLEONDQM-UHFFFAOYSA-N
MW318.37 g/mol
LogP0.17
Rot. Bonds14

About 2-[2-(carboxymethoxy)ethyl-[2-(hexanoylamino)ethyl]amino]acetic acid

2-[2-(carboxymethoxy)ethyl-[2-(hexanoylamino)ethyl]amino]acetic acid (PubChem CID 135346649) has the molecular formula C14H26N2O6 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-[2-(carboxymethoxy)ethyl-[2-(hexanoylamino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-(carboxymethoxy)ethyl-[2-(hexanoylamino)ethyl]amino]acetic acid
PubChem CID135346649
Molecular FormulaC14H26N2O6
Molecular Weight318.37 g/mol
Exact Mass318.18
IUPAC Name2-[2-(carboxymethoxy)ethyl-[2-(hexanoylamino)ethyl]amino]acetic acid
SMILESCCCCCC(=O)NCCN(CCOCC(=O)O)CC(=O)O
InChIInChI=1S/C14H26N2O6/c1-2-3-4-5-12(17)15-6-7-16(10-13(18)19)8-9-22-11-14(20)21/h2-11H2,1H3,(H,15,17)(H,18,19)(H,20,21)
InChIKeyWXMIZOPLEONDQM-UHFFFAOYSA-N
XLogP0.17
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(carboxymethoxy)ethyl-[2-(tetradecanoylamino)ethyl]amino]acetic acid
CID 76965788
2-[2-(hexadecanoylamino)ethoxy]acetic acid
CID 3017701
sodium 2-[2-(dodecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid
CID 22359060
azanium 2-[2-(dodecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid
CID 23173744
sodium;2-[2-(hexadecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid;hydride
CID 173090653
2-[bis[2-[carboxymethyl-[2-[2-[2-[2-(octadecanoylamino)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 71308393
disodium;3-[2-(2-carboxyethoxy)ethyl-[2-(octanoylamino)ethyl]amino]propanoic acid;hydride
CID 174999190
2-[1-(carboxymethoxy)ethyl-[2-(octanoylamino)ethyl]amino]acetic acid
CID 135345750
N-[2-(dibutylamino)ethyl]dodecanamide
CID 23372327
N-[2-(dipropylamino)ethyl]hexadecanamide
CID 19068804
sodium;2-[2-(dodecanoylamino)ethyl-ethoxyamino]acetic acid;hydride
CID 174760447
N-[2-[2-(heptanoylamino)ethyl-[2-(propanoylamino)ethyl]amino]ethyl]heptanamide
CID 90956908

Frequently Asked Questions

What is the IUPAC name of 2-[2-(carboxymethoxy)ethyl-[2-(hexanoylamino)ethyl]amino]acetic acid?
The IUPAC name of 2-[2-(carboxymethoxy)ethyl-[2-(hexanoylamino)ethyl]amino]acetic acid (CID 135346649) is 2-[2-(carboxymethoxy)ethyl-[2-(hexanoylamino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[2-(carboxymethoxy)ethyl-[2-(hexanoylamino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[2-(carboxymethoxy)ethyl-[2-(hexanoylamino)ethyl]amino]acetic acid is CCCCCC(=O)NCCN(CCOCC(=O)O)CC(=O)O.
What is the InChIKey of 2-[2-(carboxymethoxy)ethyl-[2-(hexanoylamino)ethyl]amino]acetic acid?
The InChIKey is WXMIZOPLEONDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O6/c1-2-3-4-5-12(17)15-6-7-16(10-13(18)19)8-9-22-11-14(20)21/h2-11H2,1H3,(H,15,17)(H,18,19)(H,20,21).
What are the key properties of 2-[2-(carboxymethoxy)ethyl-[2-(hexanoylamino)ethyl]amino]acetic acid?
2-[2-(carboxymethoxy)ethyl-[2-(hexanoylamino)ethyl]amino]acetic acid has a molecular weight of 318.37 g/mol, XLogP of 0.17, 14 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(carboxymethoxy)ethyl-[2-(hexanoylamino)ethyl]amino]acetic acid is sourced from PubChem (CID 135346649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).