2-(2-heptadecylimidazolidin-1-yl)acetic acid

C22H44N2O2 — CID 70577882

IUPAC2-(2-heptadecylimidazolidin-1-yl)acetic acid
SMILESCCCCCCCCCCCCCCCCCC1NCCN1CC(=O)O
InChIInChI=1S/C22H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-23-18-19-24(21)20-22(25)26/h21,23H,2-20H2,1H3,(H,25,26)
InChIKeyFHWLPDQRECAFTN-UHFFFAOYSA-N
MW368.61 g/mol
LogP5.56
Rot. Bonds18

About 2-(2-heptadecylimidazolidin-1-yl)acetic acid

2-(2-heptadecylimidazolidin-1-yl)acetic acid (PubChem CID 70577882) has the molecular formula C22H44N2O2 and a molecular weight of 368.61 g/mol. Its IUPAC name is 2-(2-heptadecylimidazolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-heptadecylimidazolidin-1-yl)acetic acid
PubChem CID70577882
Molecular FormulaC22H44N2O2
Molecular Weight368.61 g/mol
Exact Mass368.34
IUPAC Name2-(2-heptadecylimidazolidin-1-yl)acetic acid
SMILESCCCCCCCCCCCCCCCCCC1NCCN1CC(=O)O
InChIInChI=1S/C22H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-23-18-19-24(21)20-22(25)26/h21,23H,2-20H2,1H3,(H,25,26)
InChIKeyFHWLPDQRECAFTN-UHFFFAOYSA-N
XLogP5.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.61
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2-didodecyl-1,3-diazinane
CID 70559928
2-[2-[(Z)-heptadec-8-enyl]imidazolidin-1-yl]ethanol
CID 142741314
1,2-dipentyl-1,3-diazinane
CID 67611094
1-butyl-2-hexyl-1,3-diazinane
CID 163782424
2-[2-heptadecyl-3-(2-hydroxyethyl)imidazolidin-1-yl]acetic acid
CID 19599074
1-ethyl-2-heptadecylimidazolidine;ethyl hydrogen sulfate;ethyl octadecanoate
CID 173344824
1-hexylpiperazine-2,3-diol
CID 174792738
2-[2-[(dodecylamino)methyl]aziridin-1-yl]acetic acid
CID 88635384
heptadecyl 2-[1-(2-aminoethyl)imidazolidin-2-yl]acetate
CID 54081855
2-(2,5,7-triazabicyclo[4.2.0]octan-2-yl)acetic acid
CID 156544693
1-[(3R)-3-pentylpiperazin-1-yl]ethanone
CID 11367628
2-(2-pentylpiperazin-1-yl)-1-phenylethanone
CID 66668802

Frequently Asked Questions

What is the IUPAC name of 2-(2-heptadecylimidazolidin-1-yl)acetic acid?
The IUPAC name of 2-(2-heptadecylimidazolidin-1-yl)acetic acid (CID 70577882) is 2-(2-heptadecylimidazolidin-1-yl)acetic acid.
What is the SMILES notation for 2-(2-heptadecylimidazolidin-1-yl)acetic acid?
The canonical SMILES for 2-(2-heptadecylimidazolidin-1-yl)acetic acid is CCCCCCCCCCCCCCCCCC1NCCN1CC(=O)O.
What is the InChIKey of 2-(2-heptadecylimidazolidin-1-yl)acetic acid?
The InChIKey is FHWLPDQRECAFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-23-18-19-24(21)20-22(25)26/h21,23H,2-20H2,1H3,(H,25,26).
What are the key properties of 2-(2-heptadecylimidazolidin-1-yl)acetic acid?
2-(2-heptadecylimidazolidin-1-yl)acetic acid has a molecular weight of 368.61 g/mol, XLogP of 5.56, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-heptadecylimidazolidin-1-yl)acetic acid is sourced from PubChem (CID 70577882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).