(5S)-1-[(4-methoxyphenyl)methyl]-5-phenylpyrrolidine-2-carboxylic acid

C19H21NO3 — CID 138032641

IUPAC(5S)-1-[(4-methoxyphenyl)methyl]-5-phenylpyrrolidine-2-carboxylic acid
SMILESCOc1ccc(CN2C(C(=O)O)CC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C19H21NO3/c1-23-16-9-7-14(8-10-16)13-20-17(11-12-18(20)19(21)22)15-5-3-2-4-6-15/h2-10,17-18H,11-13H2,1H3,(H,21,22)/t17-,18?/m0/s1
InChIKeyGEJCCKLRSREFQR-ZENAZSQFSA-N
MW311.38 g/mol
LogP3.49
Rot. Bonds5

About (5S)-1-[(4-methoxyphenyl)methyl]-5-phenylpyrrolidine-2-carboxylic acid

(5S)-1-[(4-methoxyphenyl)methyl]-5-phenylpyrrolidine-2-carboxylic acid (PubChem CID 138032641) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (5S)-1-[(4-methoxyphenyl)methyl]-5-phenylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(5S)-1-[(4-methoxyphenyl)methyl]-5-phenylpyrrolidine-2-carboxylic acid
PubChem CID138032641
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(5S)-1-[(4-methoxyphenyl)methyl]-5-phenylpyrrolidine-2-carboxylic acid
SMILESCOc1ccc(CN2C(C(=O)O)CC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C19H21NO3/c1-23-16-9-7-14(8-10-16)13-20-17(11-12-18(20)19(21)22)15-5-3-2-4-6-15/h2-10,17-18H,11-13H2,1H3,(H,21,22)/t17-,18?/m0/s1
InChIKeyGEJCCKLRSREFQR-ZENAZSQFSA-N
XLogP3.49
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-[(4-methoxyphenyl)methyl]-5-phenylpyrrolidine-2-carboxylic acid?
The IUPAC name of (5S)-1-[(4-methoxyphenyl)methyl]-5-phenylpyrrolidine-2-carboxylic acid (CID 138032641) is (5S)-1-[(4-methoxyphenyl)methyl]-5-phenylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (5S)-1-[(4-methoxyphenyl)methyl]-5-phenylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (5S)-1-[(4-methoxyphenyl)methyl]-5-phenylpyrrolidine-2-carboxylic acid is COc1ccc(CN2C(C(=O)O)CC[C@H]2c2ccccc2)cc1.
What is the InChIKey of (5S)-1-[(4-methoxyphenyl)methyl]-5-phenylpyrrolidine-2-carboxylic acid?
The InChIKey is GEJCCKLRSREFQR-ZENAZSQFSA-N. The full InChI is InChI=1S/C19H21NO3/c1-23-16-9-7-14(8-10-16)13-20-17(11-12-18(20)19(21)22)15-5-3-2-4-6-15/h2-10,17-18H,11-13H2,1H3,(H,21,22)/t17-,18?/m0/s1.
What are the key properties of (5S)-1-[(4-methoxyphenyl)methyl]-5-phenylpyrrolidine-2-carboxylic acid?
(5S)-1-[(4-methoxyphenyl)methyl]-5-phenylpyrrolidine-2-carboxylic acid has a molecular weight of 311.38 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[(4-methoxyphenyl)methyl]-5-phenylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 138032641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).