(4S,5R)-1,3-dibenzyl-5-methoxycarbonyl-2-oxoimidazolidine-4-carboxylic acid

C20H20N2O5 — CID 11152843

IUPAC(4S,5R)-1,3-dibenzyl-5-methoxycarbonyl-2-oxoimidazolidine-4-carboxylic acid
SMILESCOC(=O)[C@H]1[C@@H](C(=O)O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C20H20N2O5/c1-27-19(25)17-16(18(23)24)21(12-14-8-4-2-5-9-14)20(26)22(17)13-15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3,(H,23,24)/t16-,17+/m0/s1
InChIKeyBSWUHWZVMBPALP-DLBZAZTESA-N
MW368.39 g/mol
LogP2.12
Rot. Bonds6

About (4S,5R)-1,3-dibenzyl-5-methoxycarbonyl-2-oxoimidazolidine-4-carboxylic acid

(4S,5R)-1,3-dibenzyl-5-methoxycarbonyl-2-oxoimidazolidine-4-carboxylic acid (PubChem CID 11152843) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is (4S,5R)-1,3-dibenzyl-5-methoxycarbonyl-2-oxoimidazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S,5R)-1,3-dibenzyl-5-methoxycarbonyl-2-oxoimidazolidine-4-carboxylic acid
PubChem CID11152843
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name(4S,5R)-1,3-dibenzyl-5-methoxycarbonyl-2-oxoimidazolidine-4-carboxylic acid
SMILESCOC(=O)[C@H]1[C@@H](C(=O)O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C20H20N2O5/c1-27-19(25)17-16(18(23)24)21(12-14-8-4-2-5-9-14)20(26)22(17)13-15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3,(H,23,24)/t16-,17+/m0/s1
InChIKeyBSWUHWZVMBPALP-DLBZAZTESA-N
XLogP2.12
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-1,3-dibenzyl-5-methoxycarbonyl-2-oxoimidazolidine-4-carboxylic acid?
The IUPAC name of (4S,5R)-1,3-dibenzyl-5-methoxycarbonyl-2-oxoimidazolidine-4-carboxylic acid (CID 11152843) is (4S,5R)-1,3-dibenzyl-5-methoxycarbonyl-2-oxoimidazolidine-4-carboxylic acid.
What is the SMILES notation for (4S,5R)-1,3-dibenzyl-5-methoxycarbonyl-2-oxoimidazolidine-4-carboxylic acid?
The canonical SMILES for (4S,5R)-1,3-dibenzyl-5-methoxycarbonyl-2-oxoimidazolidine-4-carboxylic acid is COC(=O)[C@H]1[C@@H](C(=O)O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of (4S,5R)-1,3-dibenzyl-5-methoxycarbonyl-2-oxoimidazolidine-4-carboxylic acid?
The InChIKey is BSWUHWZVMBPALP-DLBZAZTESA-N. The full InChI is InChI=1S/C20H20N2O5/c1-27-19(25)17-16(18(23)24)21(12-14-8-4-2-5-9-14)20(26)22(17)13-15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3,(H,23,24)/t16-,17+/m0/s1.
What are the key properties of (4S,5R)-1,3-dibenzyl-5-methoxycarbonyl-2-oxoimidazolidine-4-carboxylic acid?
(4S,5R)-1,3-dibenzyl-5-methoxycarbonyl-2-oxoimidazolidine-4-carboxylic acid has a molecular weight of 368.39 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-1,3-dibenzyl-5-methoxycarbonyl-2-oxoimidazolidine-4-carboxylic acid is sourced from PubChem (CID 11152843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).