(2S,4R)-4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid

C18H19NO2 — CID 2762061

IUPAC(2S,4R)-4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](Cc2ccc(-c3ccccc3)cc2)CN1
InChIInChI=1S/C18H19NO2/c20-18(21)17-11-14(12-19-17)10-13-6-8-16(9-7-13)15-4-2-1-3-5-15/h1-9,14,17,19H,10-12H2,(H,20,21)/t14-,17+/m1/s1
InChIKeyMMZUHXUJQSMMAV-PBHICJAKSA-N
MW281.36 g/mol
LogP2.96
Rot. Bonds4

About (2S,4R)-4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid

(2S,4R)-4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 2762061) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (2S,4R)-4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID2762061
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(2S,4R)-4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](Cc2ccc(-c3ccccc3)cc2)CN1
InChIInChI=1S/C18H19NO2/c20-18(21)17-11-14(12-19-17)10-13-6-8-16(9-7-13)15-4-2-1-3-5-15/h1-9,14,17,19H,10-12H2,(H,20,21)/t14-,17+/m1/s1
InChIKeyMMZUHXUJQSMMAV-PBHICJAKSA-N
XLogP2.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid (CID 2762061) is (2S,4R)-4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@@H](Cc2ccc(-c3ccccc3)cc2)CN1.
What is the InChIKey of (2S,4R)-4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is MMZUHXUJQSMMAV-PBHICJAKSA-N. The full InChI is InChI=1S/C18H19NO2/c20-18(21)17-11-14(12-19-17)10-13-6-8-16(9-7-13)15-4-2-1-3-5-15/h1-9,14,17,19H,10-12H2,(H,20,21)/t14-,17+/m1/s1.
What are the key properties of (2S,4R)-4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid?
(2S,4R)-4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 281.36 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 2762061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).