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

C22H42N2O6 — CID 76965788

IUPAC2-[2-(carboxymethoxy)ethyl-[2-(tetradecanoylamino)ethyl]amino]acetic acid
SMILESCCCCCCCCCCCCCC(=O)NCCN(CCOCC(=O)O)CC(=O)O
InChIInChI=1S/C22H42N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(25)23-14-15-24(18-21(26)27)16-17-30-19-22(28)29/h2-19H2,1H3,(H,23,25)(H,26,27)(H,28,29)
InChIKeyIJRHFPBEZRMXII-UHFFFAOYSA-N
MW430.59 g/mol
LogP3.29
Rot. Bonds22

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

2-[2-(carboxymethoxy)ethyl-[2-(tetradecanoylamino)ethyl]amino]acetic acid (PubChem CID 76965788) has the molecular formula C22H42N2O6 and a molecular weight of 430.59 g/mol. Its IUPAC name is 2-[2-(carboxymethoxy)ethyl-[2-(tetradecanoylamino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-(carboxymethoxy)ethyl-[2-(tetradecanoylamino)ethyl]amino]acetic acid
PubChem CID76965788
Molecular FormulaC22H42N2O6
Molecular Weight430.59 g/mol
Exact Mass430.30
IUPAC Name2-[2-(carboxymethoxy)ethyl-[2-(tetradecanoylamino)ethyl]amino]acetic acid
SMILESCCCCCCCCCCCCCC(=O)NCCN(CCOCC(=O)O)CC(=O)O
InChIInChI=1S/C22H42N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(25)23-14-15-24(18-21(26)27)16-17-30-19-22(28)29/h2-19H2,1H3,(H,23,25)(H,26,27)(H,28,29)
InChIKeyIJRHFPBEZRMXII-UHFFFAOYSA-N
XLogP3.29
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 53.29
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-(hexanoylamino)ethyl]amino]acetic acid
CID 135346649
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-(tetradecanoylamino)ethyl]amino]acetic acid?
The IUPAC name of 2-[2-(carboxymethoxy)ethyl-[2-(tetradecanoylamino)ethyl]amino]acetic acid (CID 76965788) is 2-[2-(carboxymethoxy)ethyl-[2-(tetradecanoylamino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[2-(carboxymethoxy)ethyl-[2-(tetradecanoylamino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[2-(carboxymethoxy)ethyl-[2-(tetradecanoylamino)ethyl]amino]acetic acid is CCCCCCCCCCCCCC(=O)NCCN(CCOCC(=O)O)CC(=O)O.
What is the InChIKey of 2-[2-(carboxymethoxy)ethyl-[2-(tetradecanoylamino)ethyl]amino]acetic acid?
The InChIKey is IJRHFPBEZRMXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(25)23-14-15-24(18-21(26)27)16-17-30-19-22(28)29/h2-19H2,1H3,(H,23,25)(H,26,27)(H,28,29).
What are the key properties of 2-[2-(carboxymethoxy)ethyl-[2-(tetradecanoylamino)ethyl]amino]acetic acid?
2-[2-(carboxymethoxy)ethyl-[2-(tetradecanoylamino)ethyl]amino]acetic acid has a molecular weight of 430.59 g/mol, XLogP of 3.29, 22 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-(tetradecanoylamino)ethyl]amino]acetic acid is sourced from PubChem (CID 76965788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).