2-[2-heptadecyl-3-(2-hydroxyethyl)imidazolidin-1-yl]acetic acid

C24H48N2O3 — CID 19599074

IUPAC2-[2-heptadecyl-3-(2-hydroxyethyl)imidazolidin-1-yl]acetic acid
SMILESCCCCCCCCCCCCCCCCCC1N(CCO)CCN1CC(=O)O
InChIInChI=1S/C24H48N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-25(20-21-27)18-19-26(23)22-24(28)29/h23,27H,2-22H2,1H3,(H,28,29)
InChIKeyCCJLADPRSFEXKE-UHFFFAOYSA-N
MW412.66 g/mol
LogP5.27
Rot. Bonds20

About 2-[2-heptadecyl-3-(2-hydroxyethyl)imidazolidin-1-yl]acetic acid

2-[2-heptadecyl-3-(2-hydroxyethyl)imidazolidin-1-yl]acetic acid (PubChem CID 19599074) has the molecular formula C24H48N2O3 and a molecular weight of 412.66 g/mol. Its IUPAC name is 2-[2-heptadecyl-3-(2-hydroxyethyl)imidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-heptadecyl-3-(2-hydroxyethyl)imidazolidin-1-yl]acetic acid
PubChem CID19599074
Molecular FormulaC24H48N2O3
Molecular Weight412.66 g/mol
Exact Mass412.37
IUPAC Name2-[2-heptadecyl-3-(2-hydroxyethyl)imidazolidin-1-yl]acetic acid
SMILESCCCCCCCCCCCCCCCCCC1N(CCO)CCN1CC(=O)O
InChIInChI=1S/C24H48N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-25(20-21-27)18-19-26(23)22-24(28)29/h23,27H,2-22H2,1H3,(H,28,29)
InChIKeyCCJLADPRSFEXKE-UHFFFAOYSA-N
XLogP5.27
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.66
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-ethyl-2-heptadecylimidazolidin-1-yl)ethanol
CID 57356059
2-[2-heptadec-8-enyl-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol
CID 3023627
2-[2-[(E)-heptadec-8-enyl]-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol;hydrochloride
CID 172998925
2-[3-(2-hydroxyethyl)-2-tridecylimidazolidin-1-yl]ethyl tetradecanoate
CID 122673108
2-heptadecyl-1-octadecyl-3-propylimidazolidine
CID 20661967
2-[3-ethyl-2-[(E)-heptadec-8-enyl]imidazolidin-1-yl]ethanol
CID 6437254
2-(2-heptadecylimidazolidin-1-yl)acetic acid
CID 70577882
1-butyl-3-hydroxy-2-octadecylimidazolidine
CID 19994284
2-heptadecyl-1-methyl-3-propylimidazolidine
CID 175060590
3-butyl-2-dodecylimidazolidin-1-amine
CID 19994298
2-(4-bromo-2-decyl-3-ethylimidazolidin-1-yl)ethanol
CID 122612287
1,3-dimethyl-2-nonylimidazolidine;hydroiodide
CID 173458444

Frequently Asked Questions

What is the IUPAC name of 2-[2-heptadecyl-3-(2-hydroxyethyl)imidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[2-heptadecyl-3-(2-hydroxyethyl)imidazolidin-1-yl]acetic acid (CID 19599074) is 2-[2-heptadecyl-3-(2-hydroxyethyl)imidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[2-heptadecyl-3-(2-hydroxyethyl)imidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[2-heptadecyl-3-(2-hydroxyethyl)imidazolidin-1-yl]acetic acid is CCCCCCCCCCCCCCCCCC1N(CCO)CCN1CC(=O)O.
What is the InChIKey of 2-[2-heptadecyl-3-(2-hydroxyethyl)imidazolidin-1-yl]acetic acid?
The InChIKey is CCJLADPRSFEXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-25(20-21-27)18-19-26(23)22-24(28)29/h23,27H,2-22H2,1H3,(H,28,29).
What are the key properties of 2-[2-heptadecyl-3-(2-hydroxyethyl)imidazolidin-1-yl]acetic acid?
2-[2-heptadecyl-3-(2-hydroxyethyl)imidazolidin-1-yl]acetic acid has a molecular weight of 412.66 g/mol, XLogP of 5.27, 20 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-heptadecyl-3-(2-hydroxyethyl)imidazolidin-1-yl]acetic acid is sourced from PubChem (CID 19599074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).