(2R,3S,4R,5S)-4-amino-3-(3-chlorophenyl)-4-(4-chlorophenyl)-5-propan-2-ylpyrrolidine-2-carboxylic acid

C20H22Cl2N2O2 — CID 70235279

IUPAC(2R,3S,4R,5S)-4-amino-3-(3-chlorophenyl)-4-(4-chlorophenyl)-5-propan-2-ylpyrrolidine-2-carboxylic acid
SMILESCC(C)[C@@H]1N[C@@H](C(=O)O)[C@H](c2cccc(Cl)c2)[C@@]1(N)c1ccc(Cl)cc1
InChIInChI=1S/C20H22Cl2N2O2/c1-11(2)18-20(23,13-6-8-14(21)9-7-13)16(17(24-18)19(25)26)12-4-3-5-15(22)10-12/h3-11,16-18,24H,23H2,1-2H3,(H,25,26)/t16-,17+,18-,20-/m0/s1
InChIKeyLBCXWPLLJWIMBC-DMUMMCEESA-N
MW393.31 g/mol
LogP4.01
Rot. Bonds4

About (2R,3S,4R,5S)-4-amino-3-(3-chlorophenyl)-4-(4-chlorophenyl)-5-propan-2-ylpyrrolidine-2-carboxylic acid

(2R,3S,4R,5S)-4-amino-3-(3-chlorophenyl)-4-(4-chlorophenyl)-5-propan-2-ylpyrrolidine-2-carboxylic acid (PubChem CID 70235279) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is (2R,3S,4R,5S)-4-amino-3-(3-chlorophenyl)-4-(4-chlorophenyl)-5-propan-2-ylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3S,4R,5S)-4-amino-3-(3-chlorophenyl)-4-(4-chlorophenyl)-5-propan-2-ylpyrrolidine-2-carboxylic acid
PubChem CID70235279
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Name(2R,3S,4R,5S)-4-amino-3-(3-chlorophenyl)-4-(4-chlorophenyl)-5-propan-2-ylpyrrolidine-2-carboxylic acid
SMILESCC(C)[C@@H]1N[C@@H](C(=O)O)[C@H](c2cccc(Cl)c2)[C@@]1(N)c1ccc(Cl)cc1
InChIInChI=1S/C20H22Cl2N2O2/c1-11(2)18-20(23,13-6-8-14(21)9-7-13)16(17(24-18)19(25)26)12-4-3-5-15(22)10-12/h3-11,16-18,24H,23H2,1-2H3,(H,25,26)/t16-,17+,18-,20-/m0/s1
InChIKeyLBCXWPLLJWIMBC-DMUMMCEESA-N
XLogP4.01
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-4-amino-3-(3-chlorophenyl)-4-(4-chlorophenyl)-5-propan-2-ylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,3S,4R,5S)-4-amino-3-(3-chlorophenyl)-4-(4-chlorophenyl)-5-propan-2-ylpyrrolidine-2-carboxylic acid (CID 70235279) is (2R,3S,4R,5S)-4-amino-3-(3-chlorophenyl)-4-(4-chlorophenyl)-5-propan-2-ylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,3S,4R,5S)-4-amino-3-(3-chlorophenyl)-4-(4-chlorophenyl)-5-propan-2-ylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,3S,4R,5S)-4-amino-3-(3-chlorophenyl)-4-(4-chlorophenyl)-5-propan-2-ylpyrrolidine-2-carboxylic acid is CC(C)[C@@H]1N[C@@H](C(=O)O)[C@H](c2cccc(Cl)c2)[C@@]1(N)c1ccc(Cl)cc1.
What is the InChIKey of (2R,3S,4R,5S)-4-amino-3-(3-chlorophenyl)-4-(4-chlorophenyl)-5-propan-2-ylpyrrolidine-2-carboxylic acid?
The InChIKey is LBCXWPLLJWIMBC-DMUMMCEESA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-11(2)18-20(23,13-6-8-14(21)9-7-13)16(17(24-18)19(25)26)12-4-3-5-15(22)10-12/h3-11,16-18,24H,23H2,1-2H3,(H,25,26)/t16-,17+,18-,20-/m0/s1.
What are the key properties of (2R,3S,4R,5S)-4-amino-3-(3-chlorophenyl)-4-(4-chlorophenyl)-5-propan-2-ylpyrrolidine-2-carboxylic acid?
(2R,3S,4R,5S)-4-amino-3-(3-chlorophenyl)-4-(4-chlorophenyl)-5-propan-2-ylpyrrolidine-2-carboxylic acid has a molecular weight of 393.31 g/mol, XLogP of 4.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-4-amino-3-(3-chlorophenyl)-4-(4-chlorophenyl)-5-propan-2-ylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 70235279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).