2-methyl-4-phenylimidazolidine-2-carboxylic acid

C11H14N2O2 — CID 68755333

IUPAC2-methyl-4-phenylimidazolidine-2-carboxylic acid
SMILESCC1(C(=O)O)NCC(c2ccccc2)N1
InChIInChI=1S/C11H14N2O2/c1-11(10(14)15)12-7-9(13-11)8-5-3-2-4-6-8/h2-6,9,12-13H,7H2,1H3,(H,14,15)
InChIKeyKBUXFSQPOMEHMA-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.72
Rot. Bonds2

About 2-methyl-4-phenylimidazolidine-2-carboxylic acid

2-methyl-4-phenylimidazolidine-2-carboxylic acid (PubChem CID 68755333) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-methyl-4-phenylimidazolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-phenylimidazolidine-2-carboxylic acid
PubChem CID68755333
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name2-methyl-4-phenylimidazolidine-2-carboxylic acid
SMILESCC1(C(=O)O)NCC(c2ccccc2)N1
InChIInChI=1S/C11H14N2O2/c1-11(10(14)15)12-7-9(13-11)8-5-3-2-4-6-8/h2-6,9,12-13H,7H2,1H3,(H,14,15)
InChIKeyKBUXFSQPOMEHMA-UHFFFAOYSA-N
XLogP0.72
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenylimidazolidine-2-carboxylic acid?
The IUPAC name of 2-methyl-4-phenylimidazolidine-2-carboxylic acid (CID 68755333) is 2-methyl-4-phenylimidazolidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-4-phenylimidazolidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-4-phenylimidazolidine-2-carboxylic acid is CC1(C(=O)O)NCC(c2ccccc2)N1.
What is the InChIKey of 2-methyl-4-phenylimidazolidine-2-carboxylic acid?
The InChIKey is KBUXFSQPOMEHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-11(10(14)15)12-7-9(13-11)8-5-3-2-4-6-8/h2-6,9,12-13H,7H2,1H3,(H,14,15).
What are the key properties of 2-methyl-4-phenylimidazolidine-2-carboxylic acid?
2-methyl-4-phenylimidazolidine-2-carboxylic acid has a molecular weight of 206.25 g/mol, XLogP of 0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenylimidazolidine-2-carboxylic acid is sourced from PubChem (CID 68755333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).