(4R,5R)-3-benzyl-5-methoxy-2-oxo-1-(1-phenylpropan-2-yloxycarbonyl)imidazolidine-4-carboxylic acid

C22H24N2O6 — CID 150430479

IUPAC(4R,5R)-3-benzyl-5-methoxy-2-oxo-1-(1-phenylpropan-2-yloxycarbonyl)imidazolidine-4-carboxylic acid
SMILESCO[C@@H]1[C@H](C(=O)O)N(Cc2ccccc2)C(=O)N1C(=O)OC(C)Cc1ccccc1
InChIInChI=1S/C22H24N2O6/c1-15(13-16-9-5-3-6-10-16)30-22(28)24-19(29-2)18(20(25)26)23(21(24)27)14-17-11-7-4-8-12-17/h3-12,15,18-19H,13-14H2,1-2H3,(H,25,26)/t15?,18-,19-/m1/s1
InChIKeyHJRHKDJCCKFUDQ-JCNKGUCWSA-N
MW412.44 g/mol
LogP3.12
Rot. Bonds7

About (4R,5R)-3-benzyl-5-methoxy-2-oxo-1-(1-phenylpropan-2-yloxycarbonyl)imidazolidine-4-carboxylic acid

(4R,5R)-3-benzyl-5-methoxy-2-oxo-1-(1-phenylpropan-2-yloxycarbonyl)imidazolidine-4-carboxylic acid (PubChem CID 150430479) has the molecular formula C22H24N2O6 and a molecular weight of 412.44 g/mol. Its IUPAC name is (4R,5R)-3-benzyl-5-methoxy-2-oxo-1-(1-phenylpropan-2-yloxycarbonyl)imidazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R,5R)-3-benzyl-5-methoxy-2-oxo-1-(1-phenylpropan-2-yloxycarbonyl)imidazolidine-4-carboxylic acid
PubChem CID150430479
Molecular FormulaC22H24N2O6
Molecular Weight412.44 g/mol
Exact Mass412.16
IUPAC Name(4R,5R)-3-benzyl-5-methoxy-2-oxo-1-(1-phenylpropan-2-yloxycarbonyl)imidazolidine-4-carboxylic acid
SMILESCO[C@@H]1[C@H](C(=O)O)N(Cc2ccccc2)C(=O)N1C(=O)OC(C)Cc1ccccc1
InChIInChI=1S/C22H24N2O6/c1-15(13-16-9-5-3-6-10-16)30-22(28)24-19(29-2)18(20(25)26)23(21(24)27)14-17-11-7-4-8-12-17/h3-12,15,18-19H,13-14H2,1-2H3,(H,25,26)/t15?,18-,19-/m1/s1
InChIKeyHJRHKDJCCKFUDQ-JCNKGUCWSA-N
XLogP3.12
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-3-benzyl-5-methoxy-2-oxo-1-(1-phenylpropan-2-yloxycarbonyl)imidazolidine-4-carboxylic acid?
The IUPAC name of (4R,5R)-3-benzyl-5-methoxy-2-oxo-1-(1-phenylpropan-2-yloxycarbonyl)imidazolidine-4-carboxylic acid (CID 150430479) is (4R,5R)-3-benzyl-5-methoxy-2-oxo-1-(1-phenylpropan-2-yloxycarbonyl)imidazolidine-4-carboxylic acid.
What is the SMILES notation for (4R,5R)-3-benzyl-5-methoxy-2-oxo-1-(1-phenylpropan-2-yloxycarbonyl)imidazolidine-4-carboxylic acid?
The canonical SMILES for (4R,5R)-3-benzyl-5-methoxy-2-oxo-1-(1-phenylpropan-2-yloxycarbonyl)imidazolidine-4-carboxylic acid is CO[C@@H]1[C@H](C(=O)O)N(Cc2ccccc2)C(=O)N1C(=O)OC(C)Cc1ccccc1.
What is the InChIKey of (4R,5R)-3-benzyl-5-methoxy-2-oxo-1-(1-phenylpropan-2-yloxycarbonyl)imidazolidine-4-carboxylic acid?
The InChIKey is HJRHKDJCCKFUDQ-JCNKGUCWSA-N. The full InChI is InChI=1S/C22H24N2O6/c1-15(13-16-9-5-3-6-10-16)30-22(28)24-19(29-2)18(20(25)26)23(21(24)27)14-17-11-7-4-8-12-17/h3-12,15,18-19H,13-14H2,1-2H3,(H,25,26)/t15?,18-,19-/m1/s1.
What are the key properties of (4R,5R)-3-benzyl-5-methoxy-2-oxo-1-(1-phenylpropan-2-yloxycarbonyl)imidazolidine-4-carboxylic acid?
(4R,5R)-3-benzyl-5-methoxy-2-oxo-1-(1-phenylpropan-2-yloxycarbonyl)imidazolidine-4-carboxylic acid has a molecular weight of 412.44 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-3-benzyl-5-methoxy-2-oxo-1-(1-phenylpropan-2-yloxycarbonyl)imidazolidine-4-carboxylic acid is sourced from PubChem (CID 150430479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).