(2R)-1-[4-[(3-chlorophenyl)methoxy]phenyl]-2-methyl-5-oxopyrrolidine-3-carboxylic acid

C19H18ClNO4 — CID 159792688

IUPAC(2R)-1-[4-[(3-chlorophenyl)methoxy]phenyl]-2-methyl-5-oxopyrrolidine-3-carboxylic acid
SMILESC[C@@H]1C(C(=O)O)CC(=O)N1c1ccc(OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H18ClNO4/c1-12-17(19(23)24)10-18(22)21(12)15-5-7-16(8-6-15)25-11-13-3-2-4-14(20)9-13/h2-9,12,17H,10-11H2,1H3,(H,23,24)/t12-,17?/m1/s1
InChIKeyNITOJTKUCWIZRX-MTATWXBHSA-N
MW359.81 g/mol
LogP3.74
Rot. Bonds5

About (2R)-1-[4-[(3-chlorophenyl)methoxy]phenyl]-2-methyl-5-oxopyrrolidine-3-carboxylic acid

(2R)-1-[4-[(3-chlorophenyl)methoxy]phenyl]-2-methyl-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 159792688) has the molecular formula C19H18ClNO4 and a molecular weight of 359.81 g/mol. Its IUPAC name is (2R)-1-[4-[(3-chlorophenyl)methoxy]phenyl]-2-methyl-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[4-[(3-chlorophenyl)methoxy]phenyl]-2-methyl-5-oxopyrrolidine-3-carboxylic acid
PubChem CID159792688
Molecular FormulaC19H18ClNO4
Molecular Weight359.81 g/mol
Exact Mass359.09
IUPAC Name(2R)-1-[4-[(3-chlorophenyl)methoxy]phenyl]-2-methyl-5-oxopyrrolidine-3-carboxylic acid
SMILESC[C@@H]1C(C(=O)O)CC(=O)N1c1ccc(OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H18ClNO4/c1-12-17(19(23)24)10-18(22)21(12)15-5-7-16(8-6-15)25-11-13-3-2-4-14(20)9-13/h2-9,12,17H,10-11H2,1H3,(H,23,24)/t12-,17?/m1/s1
InChIKeyNITOJTKUCWIZRX-MTATWXBHSA-N
XLogP3.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[(3-chlorophenyl)methoxy]phenyl]-2-methyl-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (2R)-1-[4-[(3-chlorophenyl)methoxy]phenyl]-2-methyl-5-oxopyrrolidine-3-carboxylic acid (CID 159792688) is (2R)-1-[4-[(3-chlorophenyl)methoxy]phenyl]-2-methyl-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (2R)-1-[4-[(3-chlorophenyl)methoxy]phenyl]-2-methyl-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (2R)-1-[4-[(3-chlorophenyl)methoxy]phenyl]-2-methyl-5-oxopyrrolidine-3-carboxylic acid is C[C@@H]1C(C(=O)O)CC(=O)N1c1ccc(OCc2cccc(Cl)c2)cc1.
What is the InChIKey of (2R)-1-[4-[(3-chlorophenyl)methoxy]phenyl]-2-methyl-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is NITOJTKUCWIZRX-MTATWXBHSA-N. The full InChI is InChI=1S/C19H18ClNO4/c1-12-17(19(23)24)10-18(22)21(12)15-5-7-16(8-6-15)25-11-13-3-2-4-14(20)9-13/h2-9,12,17H,10-11H2,1H3,(H,23,24)/t12-,17?/m1/s1.
What are the key properties of (2R)-1-[4-[(3-chlorophenyl)methoxy]phenyl]-2-methyl-5-oxopyrrolidine-3-carboxylic acid?
(2R)-1-[4-[(3-chlorophenyl)methoxy]phenyl]-2-methyl-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 359.81 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[(3-chlorophenyl)methoxy]phenyl]-2-methyl-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 159792688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).