(2S)-1-[(2R)-3-[[(1R)-1-benzamido-2-phenylethyl]-dihydroxysilyl]-2-methylpropanoyl]pyrrolidine-2-carboxylic acid

C24H30N2O6Si — CID 11328897

IUPAC(2S)-1-[(2R)-3-[[(1R)-1-benzamido-2-phenylethyl]-dihydroxysilyl]-2-methylpropanoyl]pyrrolidine-2-carboxylic acid
SMILESC[C@@H](C[Si](O)(O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C24H30N2O6Si/c1-17(23(28)26-14-8-13-20(26)24(29)30)16-33(31,32)21(15-18-9-4-2-5-10-18)25-22(27)19-11-6-3-7-12-19/h2-7,9-12,17,20-21,31-32H,8,13-16H2,1H3,(H,25,27)(H,29,30)/t17-,20-,21+/m0/s1
InChIKeyBAUPNCSSOJSBCN-DZFGPLHGSA-N
MW470.60 g/mol
LogP1.71
Rot. Bonds9

About (2S)-1-[(2R)-3-[[(1R)-1-benzamido-2-phenylethyl]-dihydroxysilyl]-2-methylpropanoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[(2R)-3-[[(1R)-1-benzamido-2-phenylethyl]-dihydroxysilyl]-2-methylpropanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 11328897) has the molecular formula C24H30N2O6Si and a molecular weight of 470.60 g/mol. Its IUPAC name is (2S)-1-[(2R)-3-[[(1R)-1-benzamido-2-phenylethyl]-dihydroxysilyl]-2-methylpropanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(2R)-3-[[(1R)-1-benzamido-2-phenylethyl]-dihydroxysilyl]-2-methylpropanoyl]pyrrolidine-2-carboxylic acid
PubChem CID11328897
Molecular FormulaC24H30N2O6Si
Molecular Weight470.60 g/mol
Exact Mass470.19
IUPAC Name(2S)-1-[(2R)-3-[[(1R)-1-benzamido-2-phenylethyl]-dihydroxysilyl]-2-methylpropanoyl]pyrrolidine-2-carboxylic acid
SMILESC[C@@H](C[Si](O)(O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C24H30N2O6Si/c1-17(23(28)26-14-8-13-20(26)24(29)30)16-33(31,32)21(15-18-9-4-2-5-10-18)25-22(27)19-11-6-3-7-12-19/h2-7,9-12,17,20-21,31-32H,8,13-16H2,1H3,(H,25,27)(H,29,30)/t17-,20-,21+/m0/s1
InChIKeyBAUPNCSSOJSBCN-DZFGPLHGSA-N
XLogP1.71
TPSA127.17 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 51.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-(2-benzamidopropanoyl)pyrrolidine-2-carboxylic acid
CID 78920023
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CID 135315648
(2S)-1-[(2S)-2-benzamido-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
CID 126678475
(2S)-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 10039116
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CID 71407969
1-[2-[[(2R)-2-benzamido-3-benzoylsulfanylpropanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 88695614
1-(1-phenylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 63010608
1-(2-benzamido-2-phenylacetyl)pyrrolidine-2-carboxylic acid
CID 22665693
1-[(2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 67652168
(2S)-1-(5-amino-2-methyl-4-oxo-6-phenylhexanoyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 70520069
(2R)-1-[(2R)-2-methyl-3-naphthalen-2-ylpropanoyl]pyrrolidine-2-carboxylic acid
CID 59901710
(2S)-1-[(2S)-3-(benzenecarbonothioylsulfanyl)-2-methylpropanoyl]pyrrolidine-2-carboxylic acid
CID 12945202

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-3-[[(1R)-1-benzamido-2-phenylethyl]-dihydroxysilyl]-2-methylpropanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(2R)-3-[[(1R)-1-benzamido-2-phenylethyl]-dihydroxysilyl]-2-methylpropanoyl]pyrrolidine-2-carboxylic acid (CID 11328897) is (2S)-1-[(2R)-3-[[(1R)-1-benzamido-2-phenylethyl]-dihydroxysilyl]-2-methylpropanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(2R)-3-[[(1R)-1-benzamido-2-phenylethyl]-dihydroxysilyl]-2-methylpropanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(2R)-3-[[(1R)-1-benzamido-2-phenylethyl]-dihydroxysilyl]-2-methylpropanoyl]pyrrolidine-2-carboxylic acid is C[C@@H](C[Si](O)(O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[(2R)-3-[[(1R)-1-benzamido-2-phenylethyl]-dihydroxysilyl]-2-methylpropanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is BAUPNCSSOJSBCN-DZFGPLHGSA-N. The full InChI is InChI=1S/C24H30N2O6Si/c1-17(23(28)26-14-8-13-20(26)24(29)30)16-33(31,32)21(15-18-9-4-2-5-10-18)25-22(27)19-11-6-3-7-12-19/h2-7,9-12,17,20-21,31-32H,8,13-16H2,1H3,(H,25,27)(H,29,30)/t17-,20-,21+/m0/s1.
What are the key properties of (2S)-1-[(2R)-3-[[(1R)-1-benzamido-2-phenylethyl]-dihydroxysilyl]-2-methylpropanoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[(2R)-3-[[(1R)-1-benzamido-2-phenylethyl]-dihydroxysilyl]-2-methylpropanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 470.60 g/mol, XLogP of 1.71, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-3-[[(1R)-1-benzamido-2-phenylethyl]-dihydroxysilyl]-2-methylpropanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 11328897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).