(4S)-1-phenylimidazolidine-4-carboxylic acid

C10H12N2O2 — CID 166481932

IUPAC(4S)-1-phenylimidazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CN(c2ccccc2)CN1
InChIInChI=1S/C10H12N2O2/c13-10(14)9-6-12(7-11-9)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,13,14)/t9-/m0/s1
InChIKeyRWWBIQRKOGDROG-VIFPVBQESA-N
MW192.22 g/mol
LogP0.51
Rot. Bonds2

About (4S)-1-phenylimidazolidine-4-carboxylic acid

(4S)-1-phenylimidazolidine-4-carboxylic acid (PubChem CID 166481932) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is (4S)-1-phenylimidazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-1-phenylimidazolidine-4-carboxylic acid
PubChem CID166481932
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name(4S)-1-phenylimidazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CN(c2ccccc2)CN1
InChIInChI=1S/C10H12N2O2/c13-10(14)9-6-12(7-11-9)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,13,14)/t9-/m0/s1
InChIKeyRWWBIQRKOGDROG-VIFPVBQESA-N
XLogP0.51
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-pyridin-2-ylpiperazine-2-carboxylic acid
CID 44607823
[(3S,4S)-4-benzoyl-1-phenylpyrrolidin-3-yl]-phenylmethanone
CID 1481130
(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)carbamic acid
CID 69232733
1-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone
CID 126559698
(2S)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
CID 97169312
(3S,4R)-1,4-diphenylpyrrolidine-3-carboxylic acid
CID 162471093
(2S)-4-(diphenylcarbamoyl)piperazine-2-carboxylic acid
CID 54011056
3-phenyl-6-oxa-3-azabicyclo[3.1.1]heptane
CID 84766951
but-2-enedioic acid;(1S,4S)-2-phenyl-2,5-diazabicyclo[2.2.1]heptane
CID 132988374
5-(2-phenylpyrazol-3-yl)pyrrolidine-2-carboxylic acid
CID 107331164
4-(3-hydroxy-2-pyridinyl)piperazine-2-carboxylic acid
CID 71649700
4-[1-(4-phenylphenyl)tetrazol-5-yl]piperazine-2-carboxylic acid
CID 56869060

Frequently Asked Questions

What is the IUPAC name of (4S)-1-phenylimidazolidine-4-carboxylic acid?
The IUPAC name of (4S)-1-phenylimidazolidine-4-carboxylic acid (CID 166481932) is (4S)-1-phenylimidazolidine-4-carboxylic acid.
What is the SMILES notation for (4S)-1-phenylimidazolidine-4-carboxylic acid?
The canonical SMILES for (4S)-1-phenylimidazolidine-4-carboxylic acid is O=C(O)[C@@H]1CN(c2ccccc2)CN1.
What is the InChIKey of (4S)-1-phenylimidazolidine-4-carboxylic acid?
The InChIKey is RWWBIQRKOGDROG-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12N2O2/c13-10(14)9-6-12(7-11-9)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,13,14)/t9-/m0/s1.
What are the key properties of (4S)-1-phenylimidazolidine-4-carboxylic acid?
(4S)-1-phenylimidazolidine-4-carboxylic acid has a molecular weight of 192.22 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-phenylimidazolidine-4-carboxylic acid is sourced from PubChem (CID 166481932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).