2-imidazolidin-1-ylacetic acid

C5H10N2O2 — CID 11715185

IUPAC2-imidazolidin-1-ylacetic acid
SMILESO=C(O)CN1CCNC1
InChIInChI=1S/C5H10N2O2/c8-5(9)3-7-2-1-6-4-7/h6H,1-4H2,(H,8,9)
InChIKeyQTTURWMCQQIIEJ-UHFFFAOYSA-N
MW130.15 g/mol
LogP-1.07
Rot. Bonds2

About 2-imidazolidin-1-ylacetic acid

2-imidazolidin-1-ylacetic acid (PubChem CID 11715185) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 2-imidazolidin-1-ylacetic acid.

Molecular Properties

Compound Name2-imidazolidin-1-ylacetic acid
PubChem CID11715185
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name2-imidazolidin-1-ylacetic acid
SMILESO=C(O)CN1CCNC1
InChIInChI=1S/C5H10N2O2/c8-5(9)3-7-2-1-6-4-7/h6H,1-4H2,(H,8,9)
InChIKeyQTTURWMCQQIIEJ-UHFFFAOYSA-N
XLogP-1.07
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-imidazolidin-1-ylacetic acid?
The IUPAC name of 2-imidazolidin-1-ylacetic acid (CID 11715185) is 2-imidazolidin-1-ylacetic acid.
What is the SMILES notation for 2-imidazolidin-1-ylacetic acid?
The canonical SMILES for 2-imidazolidin-1-ylacetic acid is O=C(O)CN1CCNC1.
What is the InChIKey of 2-imidazolidin-1-ylacetic acid?
The InChIKey is QTTURWMCQQIIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2/c8-5(9)3-7-2-1-6-4-7/h6H,1-4H2,(H,8,9).
What are the key properties of 2-imidazolidin-1-ylacetic acid?
2-imidazolidin-1-ylacetic acid has a molecular weight of 130.15 g/mol, XLogP of -1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazolidin-1-ylacetic acid is sourced from PubChem (CID 11715185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).