(4S)-2-oxo-3-phenylmethoxycarbonylimidazolidine-4-carboxylate

C12H11N2O5- — CID 6921644

IUPAC(4S)-2-oxo-3-phenylmethoxycarbonylimidazolidine-4-carboxylate
SMILESO=C([O-])[C@@H]1CNC(=O)N1C(=O)OCc1ccccc1
InChIInChI=1S/C12H12N2O5/c15-10(16)9-6-13-11(17)14(9)12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,17)(H,15,16)/p-1/t9-/m0/s1
InChIKeyAYSUEIZKNBGWGN-VIFPVBQESA-M
MW263.23 g/mol
LogP-0.53
Rot. Bonds3

About (4S)-2-oxo-3-phenylmethoxycarbonylimidazolidine-4-carboxylate

(4S)-2-oxo-3-phenylmethoxycarbonylimidazolidine-4-carboxylate (PubChem CID 6921644) has the molecular formula C12H11N2O5- and a molecular weight of 263.23 g/mol. Its IUPAC name is (4S)-2-oxo-3-phenylmethoxycarbonylimidazolidine-4-carboxylate.

Molecular Properties

Compound Name(4S)-2-oxo-3-phenylmethoxycarbonylimidazolidine-4-carboxylate
PubChem CID6921644
Molecular FormulaC12H11N2O5-
Molecular Weight263.23 g/mol
Exact Mass263.07
IUPAC Name(4S)-2-oxo-3-phenylmethoxycarbonylimidazolidine-4-carboxylate
SMILESO=C([O-])[C@@H]1CNC(=O)N1C(=O)OCc1ccccc1
InChIInChI=1S/C12H12N2O5/c15-10(16)9-6-13-11(17)14(9)12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,17)(H,15,16)/p-1/t9-/m0/s1
InChIKeyAYSUEIZKNBGWGN-VIFPVBQESA-M
XLogP-0.53
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S)-2-oxo-3-phenylmethoxycarbonylimidazolidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl (5S)-5-carbamoyl-2-oxoimidazolidine-1-carboxylate
CID 143123458
dicyclohexylazanium;(2S)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylate
CID 121230078
4-oxo-1-phenylmethoxycarbonylazetidine-2-carboxylic acid
CID 71382493
benzene;benzyl 2-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate
CID 23057926
(2R)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 688429
benzyl (1S,5S)-3-oxo-2,4-diazabicyclo[3.1.0]hexane-2-carboxylate
CID 6928656
benzyl 3-oxo-2,4-diazabicyclo[3.1.0]hexane-2-carboxylate
CID 2802741
benzyl (1S,5R)-3-oxo-2,4-diazabicyclo[3.1.0]hexane-2-carboxylate
CID 11859502
benzyl 2-oxo-4-phenylazetidine-1-carboxylate
CID 11323488
benzyl 2,6-dimethyl-3-oxopiperazine-1-carboxylate
CID 54133253
benzyl (2S)-2,6-dimethyl-3-oxopiperazine-1-carboxylate
CID 57066025
1-O-benzyl 2-O-methyl 5-oxopyrrolidine-1,2-dicarboxylate
CID 11196673

Frequently Asked Questions

What is the IUPAC name of (4S)-2-oxo-3-phenylmethoxycarbonylimidazolidine-4-carboxylate?
The IUPAC name of (4S)-2-oxo-3-phenylmethoxycarbonylimidazolidine-4-carboxylate (CID 6921644) is (4S)-2-oxo-3-phenylmethoxycarbonylimidazolidine-4-carboxylate.
What is the SMILES notation for (4S)-2-oxo-3-phenylmethoxycarbonylimidazolidine-4-carboxylate?
The canonical SMILES for (4S)-2-oxo-3-phenylmethoxycarbonylimidazolidine-4-carboxylate is O=C([O-])[C@@H]1CNC(=O)N1C(=O)OCc1ccccc1.
What is the InChIKey of (4S)-2-oxo-3-phenylmethoxycarbonylimidazolidine-4-carboxylate?
The InChIKey is AYSUEIZKNBGWGN-VIFPVBQESA-M. The full InChI is InChI=1S/C12H12N2O5/c15-10(16)9-6-13-11(17)14(9)12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,17)(H,15,16)/p-1/t9-/m0/s1.
What are the key properties of (4S)-2-oxo-3-phenylmethoxycarbonylimidazolidine-4-carboxylate?
(4S)-2-oxo-3-phenylmethoxycarbonylimidazolidine-4-carboxylate has a molecular weight of 263.23 g/mol, XLogP of -0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-oxo-3-phenylmethoxycarbonylimidazolidine-4-carboxylate is sourced from PubChem (CID 6921644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).