(3R)-4-hydroxy-3-methyl-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid

C14H19NO3 — CID 68945895

IUPAC(3R)-4-hydroxy-3-methyl-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid
SMILESC[C@H](c1ccccc1)N1CC(O)[C@](C)(C(=O)O)C1
InChIInChI=1S/C14H19NO3/c1-10(11-6-4-3-5-7-11)15-8-12(16)14(2,9-15)13(17)18/h3-7,10,12,16H,8-9H2,1-2H3,(H,17,18)/t10-,12?,14-/m1/s1
InChIKeyACAVVJMTCMNHSJ-GYYYEOQOSA-N
MW249.31 g/mol
LogP1.51
Rot. Bonds3

About (3R)-4-hydroxy-3-methyl-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid

(3R)-4-hydroxy-3-methyl-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid (PubChem CID 68945895) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (3R)-4-hydroxy-3-methyl-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-4-hydroxy-3-methyl-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid
PubChem CID68945895
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(3R)-4-hydroxy-3-methyl-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid
SMILESC[C@H](c1ccccc1)N1CC(O)[C@](C)(C(=O)O)C1
InChIInChI=1S/C14H19NO3/c1-10(11-6-4-3-5-7-11)15-8-12(16)14(2,9-15)13(17)18/h3-7,10,12,16H,8-9H2,1-2H3,(H,17,18)/t10-,12?,14-/m1/s1
InChIKeyACAVVJMTCMNHSJ-GYYYEOQOSA-N
XLogP1.51
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-hydroxy-3-methyl-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-4-hydroxy-3-methyl-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid (CID 68945895) is (3R)-4-hydroxy-3-methyl-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-4-hydroxy-3-methyl-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-4-hydroxy-3-methyl-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid is C[C@H](c1ccccc1)N1CC(O)[C@](C)(C(=O)O)C1.
What is the InChIKey of (3R)-4-hydroxy-3-methyl-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is ACAVVJMTCMNHSJ-GYYYEOQOSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(11-6-4-3-5-7-11)15-8-12(16)14(2,9-15)13(17)18/h3-7,10,12,16H,8-9H2,1-2H3,(H,17,18)/t10-,12?,14-/m1/s1.
What are the key properties of (3R)-4-hydroxy-3-methyl-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid?
(3R)-4-hydroxy-3-methyl-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-hydroxy-3-methyl-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 68945895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).