1-methyl-2-phenylimidazolidine-2-carboxylic acid

C11H14N2O2 — CID 69477176

IUPAC1-methyl-2-phenylimidazolidine-2-carboxylic acid
SMILESCN1CCNC1(C(=O)O)c1ccccc1
InChIInChI=1S/C11H14N2O2/c1-13-8-7-12-11(13,10(14)15)9-5-3-2-4-6-9/h2-6,12H,7-8H2,1H3,(H,14,15)
InChIKeySDSQBQLXQPSHJL-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.46
Rot. Bonds2

About 1-methyl-2-phenylimidazolidine-2-carboxylic acid

1-methyl-2-phenylimidazolidine-2-carboxylic acid (PubChem CID 69477176) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-methyl-2-phenylimidazolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-phenylimidazolidine-2-carboxylic acid
PubChem CID69477176
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name1-methyl-2-phenylimidazolidine-2-carboxylic acid
SMILESCN1CCNC1(C(=O)O)c1ccccc1
InChIInChI=1S/C11H14N2O2/c1-13-8-7-12-11(13,10(14)15)9-5-3-2-4-6-9/h2-6,12H,7-8H2,1H3,(H,14,15)
InChIKeySDSQBQLXQPSHJL-UHFFFAOYSA-N
XLogP0.46
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-phenylimidazolidine-2-carboxylic acid?
The IUPAC name of 1-methyl-2-phenylimidazolidine-2-carboxylic acid (CID 69477176) is 1-methyl-2-phenylimidazolidine-2-carboxylic acid.
What is the SMILES notation for 1-methyl-2-phenylimidazolidine-2-carboxylic acid?
The canonical SMILES for 1-methyl-2-phenylimidazolidine-2-carboxylic acid is CN1CCNC1(C(=O)O)c1ccccc1.
What is the InChIKey of 1-methyl-2-phenylimidazolidine-2-carboxylic acid?
The InChIKey is SDSQBQLXQPSHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-13-8-7-12-11(13,10(14)15)9-5-3-2-4-6-9/h2-6,12H,7-8H2,1H3,(H,14,15).
What are the key properties of 1-methyl-2-phenylimidazolidine-2-carboxylic acid?
1-methyl-2-phenylimidazolidine-2-carboxylic acid has a molecular weight of 206.25 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-phenylimidazolidine-2-carboxylic acid is sourced from PubChem (CID 69477176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).