2-(1,3-dimethylimidazolidin-2-yl)acetic acid

C7H14N2O2 — CID 96634354

IUPAC2-(1,3-dimethylimidazolidin-2-yl)acetic acid
SMILESCN1CCN(C)C1CC(=O)O
InChIInChI=1S/C7H14N2O2/c1-8-3-4-9(2)6(8)5-7(10)11/h6H,3-5H2,1-2H3,(H,10,11)
InChIKeyFUZRPHZNFGWDFA-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.34
Rot. Bonds2

About 2-(1,3-dimethylimidazolidin-2-yl)acetic acid

2-(1,3-dimethylimidazolidin-2-yl)acetic acid (PubChem CID 96634354) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(1,3-dimethylimidazolidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1,3-dimethylimidazolidin-2-yl)acetic acid
PubChem CID96634354
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-(1,3-dimethylimidazolidin-2-yl)acetic acid
SMILESCN1CCN(C)C1CC(=O)O
InChIInChI=1S/C7H14N2O2/c1-8-3-4-9(2)6(8)5-7(10)11/h6H,3-5H2,1-2H3,(H,10,11)
InChIKeyFUZRPHZNFGWDFA-UHFFFAOYSA-N
XLogP-0.34
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-dimethyl-2H-imidazol-2-yl)acetic acid
CID 141071072
2-(1,4-dimethyl-3-oxopiperazin-2-yl)acetic acid
CID 53408603
2-(1-methylpyrrolidin-3-yl)acetic acid
CID 19362950
2-(1,2-dimethylpiperidin-4-yl)acetic acid
CID 57247526
2-(1-propylpiperidin-4-yl)acetic acid;hydrochloride
CID 75530728
2-[(2R,3S)-3,4-dimethylpiperazin-2-yl]acetic acid
CID 96630875
2-[(2R,3R)-3-(hydroxymethyl)-1-methylpyrrolidin-2-yl]acetic acid
CID 170368031
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
2-[(2R,3R)-1-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]acetic acid
CID 96620489
1,2-dimethylaziridine;propanoic acid
CID 175486579
2-(2,2-dimethyl-1-propylpyrrolidin-3-yl)acetic acid
CID 117017328
2-(4-fluoro-1-methylpiperidin-3-yl)acetic acid
CID 84766894

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylimidazolidin-2-yl)acetic acid?
The IUPAC name of 2-(1,3-dimethylimidazolidin-2-yl)acetic acid (CID 96634354) is 2-(1,3-dimethylimidazolidin-2-yl)acetic acid.
What is the SMILES notation for 2-(1,3-dimethylimidazolidin-2-yl)acetic acid?
The canonical SMILES for 2-(1,3-dimethylimidazolidin-2-yl)acetic acid is CN1CCN(C)C1CC(=O)O.
What is the InChIKey of 2-(1,3-dimethylimidazolidin-2-yl)acetic acid?
The InChIKey is FUZRPHZNFGWDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-8-3-4-9(2)6(8)5-7(10)11/h6H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 2-(1,3-dimethylimidazolidin-2-yl)acetic acid?
2-(1,3-dimethylimidazolidin-2-yl)acetic acid has a molecular weight of 158.20 g/mol, XLogP of -0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylimidazolidin-2-yl)acetic acid is sourced from PubChem (CID 96634354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).