2-(3-benzyl-2-oxoimidazolidin-1-yl)acetic acid

C12H14N2O3 — CID 3238717

IUPAC2-(3-benzyl-2-oxoimidazolidin-1-yl)acetic acid
SMILESO=C(O)CN1CCN(Cc2ccccc2)C1=O
InChIInChI=1S/C12H14N2O3/c15-11(16)9-14-7-6-13(12(14)17)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,15,16)
InChIKeyMMORIWCAQRDZOJ-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.01
Rot. Bonds4

About 2-(3-benzyl-2-oxoimidazolidin-1-yl)acetic acid

2-(3-benzyl-2-oxoimidazolidin-1-yl)acetic acid (PubChem CID 3238717) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-(3-benzyl-2-oxoimidazolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-benzyl-2-oxoimidazolidin-1-yl)acetic acid
PubChem CID3238717
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-(3-benzyl-2-oxoimidazolidin-1-yl)acetic acid
SMILESO=C(O)CN1CCN(Cc2ccccc2)C1=O
InChIInChI=1S/C12H14N2O3/c15-11(16)9-14-7-6-13(12(14)17)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,15,16)
InChIKeyMMORIWCAQRDZOJ-UHFFFAOYSA-N
XLogP1.01
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2-oxoimidazolidin-1-yl)acetic acid?
The IUPAC name of 2-(3-benzyl-2-oxoimidazolidin-1-yl)acetic acid (CID 3238717) is 2-(3-benzyl-2-oxoimidazolidin-1-yl)acetic acid.
What is the SMILES notation for 2-(3-benzyl-2-oxoimidazolidin-1-yl)acetic acid?
The canonical SMILES for 2-(3-benzyl-2-oxoimidazolidin-1-yl)acetic acid is O=C(O)CN1CCN(Cc2ccccc2)C1=O.
What is the InChIKey of 2-(3-benzyl-2-oxoimidazolidin-1-yl)acetic acid?
The InChIKey is MMORIWCAQRDZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-11(16)9-14-7-6-13(12(14)17)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,15,16).
What are the key properties of 2-(3-benzyl-2-oxoimidazolidin-1-yl)acetic acid?
2-(3-benzyl-2-oxoimidazolidin-1-yl)acetic acid has a molecular weight of 234.25 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2-oxoimidazolidin-1-yl)acetic acid is sourced from PubChem (CID 3238717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).