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

C7H12N2O4 — CID 10877878

IUPAC2-[3-(carboxymethyl)imidazolidin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(CC(=O)O)C1
InChIInChI=1S/C7H12N2O4/c10-6(11)3-8-1-2-9(5-8)4-7(12)13/h1-5H2,(H,10,11)(H,12,13)
InChIKeyHFQQFRSSBGHKAF-UHFFFAOYSA-N
MW188.18 g/mol
LogP-1.27
Rot. Bonds4

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

2-[3-(carboxymethyl)imidazolidin-1-yl]acetic acid (PubChem CID 10877878) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is 2-[3-(carboxymethyl)imidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(carboxymethyl)imidazolidin-1-yl]acetic acid
PubChem CID10877878
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name2-[3-(carboxymethyl)imidazolidin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(CC(=O)O)C1
InChIInChI=1S/C7H12N2O4/c10-6(11)3-8-1-2-9(5-8)4-7(12)13/h1-5H2,(H,10,11)(H,12,13)
InChIKeyHFQQFRSSBGHKAF-UHFFFAOYSA-N
XLogP-1.27
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(carboxymethyl)imidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[3-(carboxymethyl)imidazolidin-1-yl]acetic acid (CID 10877878) is 2-[3-(carboxymethyl)imidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(carboxymethyl)imidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(carboxymethyl)imidazolidin-1-yl]acetic acid is O=C(O)CN1CCN(CC(=O)O)C1.
What is the InChIKey of 2-[3-(carboxymethyl)imidazolidin-1-yl]acetic acid?
The InChIKey is HFQQFRSSBGHKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4/c10-6(11)3-8-1-2-9(5-8)4-7(12)13/h1-5H2,(H,10,11)(H,12,13).
What are the key properties of 2-[3-(carboxymethyl)imidazolidin-1-yl]acetic acid?
2-[3-(carboxymethyl)imidazolidin-1-yl]acetic acid has a molecular weight of 188.18 g/mol, XLogP of -1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(carboxymethyl)imidazolidin-1-yl]acetic acid is sourced from PubChem (CID 10877878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).