(4S,5R)-1,3-dibenzyl-2-oxo-5-propan-2-yloxycarbonylimidazolidine-4-carboxylic acid

C22H24N2O5 — CID 10715764

IUPAC(4S,5R)-1,3-dibenzyl-2-oxo-5-propan-2-yloxycarbonylimidazolidine-4-carboxylic acid
SMILESCC(C)OC(=O)[C@H]1[C@@H](C(=O)O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C22H24N2O5/c1-15(2)29-21(27)19-18(20(25)26)23(13-16-9-5-3-6-10-16)22(28)24(19)14-17-11-7-4-8-12-17/h3-12,15,18-19H,13-14H2,1-2H3,(H,25,26)/t18-,19+/m0/s1
InChIKeyRVNXWRRDPPIXHE-RBUKOAKNSA-N
MW396.44 g/mol
LogP2.90
Rot. Bonds7

About (4S,5R)-1,3-dibenzyl-2-oxo-5-propan-2-yloxycarbonylimidazolidine-4-carboxylic acid

(4S,5R)-1,3-dibenzyl-2-oxo-5-propan-2-yloxycarbonylimidazolidine-4-carboxylic acid (PubChem CID 10715764) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is (4S,5R)-1,3-dibenzyl-2-oxo-5-propan-2-yloxycarbonylimidazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S,5R)-1,3-dibenzyl-2-oxo-5-propan-2-yloxycarbonylimidazolidine-4-carboxylic acid
PubChem CID10715764
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name(4S,5R)-1,3-dibenzyl-2-oxo-5-propan-2-yloxycarbonylimidazolidine-4-carboxylic acid
SMILESCC(C)OC(=O)[C@H]1[C@@H](C(=O)O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C22H24N2O5/c1-15(2)29-21(27)19-18(20(25)26)23(13-16-9-5-3-6-10-16)22(28)24(19)14-17-11-7-4-8-12-17/h3-12,15,18-19H,13-14H2,1-2H3,(H,25,26)/t18-,19+/m0/s1
InChIKeyRVNXWRRDPPIXHE-RBUKOAKNSA-N
XLogP2.90
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.90
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-2-oxo-5-propan-2-yloxycarbonylimidazolidine-4-carboxylic acid?
The IUPAC name of (4S,5R)-1,3-dibenzyl-2-oxo-5-propan-2-yloxycarbonylimidazolidine-4-carboxylic acid (CID 10715764) is (4S,5R)-1,3-dibenzyl-2-oxo-5-propan-2-yloxycarbonylimidazolidine-4-carboxylic acid.
What is the SMILES notation for (4S,5R)-1,3-dibenzyl-2-oxo-5-propan-2-yloxycarbonylimidazolidine-4-carboxylic acid?
The canonical SMILES for (4S,5R)-1,3-dibenzyl-2-oxo-5-propan-2-yloxycarbonylimidazolidine-4-carboxylic acid is CC(C)OC(=O)[C@H]1[C@@H](C(=O)O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of (4S,5R)-1,3-dibenzyl-2-oxo-5-propan-2-yloxycarbonylimidazolidine-4-carboxylic acid?
The InChIKey is RVNXWRRDPPIXHE-RBUKOAKNSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-15(2)29-21(27)19-18(20(25)26)23(13-16-9-5-3-6-10-16)22(28)24(19)14-17-11-7-4-8-12-17/h3-12,15,18-19H,13-14H2,1-2H3,(H,25,26)/t18-,19+/m0/s1.
What are the key properties of (4S,5R)-1,3-dibenzyl-2-oxo-5-propan-2-yloxycarbonylimidazolidine-4-carboxylic acid?
(4S,5R)-1,3-dibenzyl-2-oxo-5-propan-2-yloxycarbonylimidazolidine-4-carboxylic acid has a molecular weight of 396.44 g/mol, XLogP of 2.90, 7 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-2-oxo-5-propan-2-yloxycarbonylimidazolidine-4-carboxylic acid is sourced from PubChem (CID 10715764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).