(2S)-1-[5-[(4-phenylphenoxy)methyl]furan-2-carbonyl]pyrrolidine-2-carboxylic acid

C23H21NO5 — CID 11463456

IUPAC(2S)-1-[5-[(4-phenylphenoxy)methyl]furan-2-carbonyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)c1ccc(COc2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C23H21NO5/c25-22(24-14-4-7-20(24)23(26)27)21-13-12-19(29-21)15-28-18-10-8-17(9-11-18)16-5-2-1-3-6-16/h1-3,5-6,8-13,20H,4,7,14-15H2,(H,26,27)/t20-/m0/s1
InChIKeyVTRDTDHQGGTYQU-FQEVSTJZSA-N
MW391.42 g/mol
LogP4.21
Rot. Bonds6

About (2S)-1-[5-[(4-phenylphenoxy)methyl]furan-2-carbonyl]pyrrolidine-2-carboxylic acid

(2S)-1-[5-[(4-phenylphenoxy)methyl]furan-2-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 11463456) has the molecular formula C23H21NO5 and a molecular weight of 391.42 g/mol. Its IUPAC name is (2S)-1-[5-[(4-phenylphenoxy)methyl]furan-2-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[5-[(4-phenylphenoxy)methyl]furan-2-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID11463456
Molecular FormulaC23H21NO5
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC Name(2S)-1-[5-[(4-phenylphenoxy)methyl]furan-2-carbonyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)c1ccc(COc2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C23H21NO5/c25-22(24-14-4-7-20(24)23(26)27)21-13-12-19(29-21)15-28-18-10-8-17(9-11-18)16-5-2-1-3-6-16/h1-3,5-6,8-13,20H,4,7,14-15H2,(H,26,27)/t20-/m0/s1
InChIKeyVTRDTDHQGGTYQU-FQEVSTJZSA-N
XLogP4.21
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[5-[(4-phenylphenoxy)methyl]furan-2-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[5-[(4-phenylphenoxy)methyl]furan-2-carbonyl]pyrrolidine-2-carboxylic acid (CID 11463456) is (2S)-1-[5-[(4-phenylphenoxy)methyl]furan-2-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[5-[(4-phenylphenoxy)methyl]furan-2-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[5-[(4-phenylphenoxy)methyl]furan-2-carbonyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)c1ccc(COc2ccc(-c3ccccc3)cc2)o1.
What is the InChIKey of (2S)-1-[5-[(4-phenylphenoxy)methyl]furan-2-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is VTRDTDHQGGTYQU-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H21NO5/c25-22(24-14-4-7-20(24)23(26)27)21-13-12-19(29-21)15-28-18-10-8-17(9-11-18)16-5-2-1-3-6-16/h1-3,5-6,8-13,20H,4,7,14-15H2,(H,26,27)/t20-/m0/s1.
What are the key properties of (2S)-1-[5-[(4-phenylphenoxy)methyl]furan-2-carbonyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[5-[(4-phenylphenoxy)methyl]furan-2-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 391.42 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[5-[(4-phenylphenoxy)methyl]furan-2-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 11463456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).