benzyl (5S)-5-carbamoyl-2-oxoimidazolidine-1-carboxylate

C12H13N3O4 — CID 143123458

IUPACbenzyl (5S)-5-carbamoyl-2-oxoimidazolidine-1-carboxylate
SMILESNC(=O)[C@@H]1CNC(=O)N1C(=O)OCc1ccccc1
InChIInChI=1S/C12H13N3O4/c13-10(16)9-6-14-11(17)15(9)12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,16)(H,14,17)/t9-/m0/s1
InChIKeyJOFDYPKPJSKQCK-VIFPVBQESA-N
MW263.25 g/mol
LogP0.20
Rot. Bonds3

About benzyl (5S)-5-carbamoyl-2-oxoimidazolidine-1-carboxylate

benzyl (5S)-5-carbamoyl-2-oxoimidazolidine-1-carboxylate (PubChem CID 143123458) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is benzyl (5S)-5-carbamoyl-2-oxoimidazolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (5S)-5-carbamoyl-2-oxoimidazolidine-1-carboxylate
PubChem CID143123458
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Namebenzyl (5S)-5-carbamoyl-2-oxoimidazolidine-1-carboxylate
SMILESNC(=O)[C@@H]1CNC(=O)N1C(=O)OCc1ccccc1
InChIInChI=1S/C12H13N3O4/c13-10(16)9-6-14-11(17)15(9)12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,16)(H,14,17)/t9-/m0/s1
InChIKeyJOFDYPKPJSKQCK-VIFPVBQESA-N
XLogP0.20
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-2-oxo-3-phenylmethoxycarbonylimidazolidine-4-carboxylate
CID 6921644
4-oxo-1-phenylmethoxycarbonylazetidine-2-carboxylic acid
CID 71382493
(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 (1S,5R)-3-oxo-2,4-diazabicyclo[3.1.0]hexane-2-carboxylate
CID 11859502
benzyl 3-oxo-2,4-diazabicyclo[3.1.0]hexane-2-carboxylate
CID 2802741
benzyl 2-oxo-4-phenylazetidine-1-carboxylate
CID 11323488
benzyl 2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate
CID 18520553
1-O-benzyl 2-O-methyl (2R,5R)-5-carbamoylpyrrolidine-1,2-dicarboxylate
CID 57408271
benzene;benzyl 2-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate
CID 23057926
1-O-benzyl 2-O-methyl 5-oxopyrrolidine-1,2-dicarboxylate
CID 11196673
benzyl 2,6-dimethyl-3-oxopiperazine-1-carboxylate
CID 54133253

Frequently Asked Questions

What is the IUPAC name of benzyl (5S)-5-carbamoyl-2-oxoimidazolidine-1-carboxylate?
The IUPAC name of benzyl (5S)-5-carbamoyl-2-oxoimidazolidine-1-carboxylate (CID 143123458) is benzyl (5S)-5-carbamoyl-2-oxoimidazolidine-1-carboxylate.
What is the SMILES notation for benzyl (5S)-5-carbamoyl-2-oxoimidazolidine-1-carboxylate?
The canonical SMILES for benzyl (5S)-5-carbamoyl-2-oxoimidazolidine-1-carboxylate is NC(=O)[C@@H]1CNC(=O)N1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (5S)-5-carbamoyl-2-oxoimidazolidine-1-carboxylate?
The InChIKey is JOFDYPKPJSKQCK-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13N3O4/c13-10(16)9-6-14-11(17)15(9)12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,16)(H,14,17)/t9-/m0/s1.
What are the key properties of benzyl (5S)-5-carbamoyl-2-oxoimidazolidine-1-carboxylate?
benzyl (5S)-5-carbamoyl-2-oxoimidazolidine-1-carboxylate has a molecular weight of 263.25 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (5S)-5-carbamoyl-2-oxoimidazolidine-1-carboxylate is sourced from PubChem (CID 143123458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).