(3R)-5-oxo-1-[2-(4-propan-2-yloxyphenyl)ethyl]pyrrolidine-3-carboxylic acid

C16H21NO4 — CID 95147392

IUPAC(3R)-5-oxo-1-[2-(4-propan-2-yloxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)Oc1ccc(CCN2C[C@H](C(=O)O)CC2=O)cc1
InChIInChI=1S/C16H21NO4/c1-11(2)21-14-5-3-12(4-6-14)7-8-17-10-13(16(19)20)9-15(17)18/h3-6,11,13H,7-10H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyFGXTUXIMMZUNMW-CYBMUJFWSA-N
MW291.35 g/mol
LogP1.95
Rot. Bonds6

About (3R)-5-oxo-1-[2-(4-propan-2-yloxyphenyl)ethyl]pyrrolidine-3-carboxylic acid

(3R)-5-oxo-1-[2-(4-propan-2-yloxyphenyl)ethyl]pyrrolidine-3-carboxylic acid (PubChem CID 95147392) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is (3R)-5-oxo-1-[2-(4-propan-2-yloxyphenyl)ethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-5-oxo-1-[2-(4-propan-2-yloxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
PubChem CID95147392
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name(3R)-5-oxo-1-[2-(4-propan-2-yloxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)Oc1ccc(CCN2C[C@H](C(=O)O)CC2=O)cc1
InChIInChI=1S/C16H21NO4/c1-11(2)21-14-5-3-12(4-6-14)7-8-17-10-13(16(19)20)9-15(17)18/h3-6,11,13H,7-10H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyFGXTUXIMMZUNMW-CYBMUJFWSA-N
XLogP1.95
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 972679
5-oxo-1-[2-(4-propoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 22682329
5-oxo-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 168696082
5-oxo-1-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethyl]pyrrolidine-3-carboxylic acid
CID 22686439
1-[2-(4-naphthalen-2-yloxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 22683236
1-[2-[4-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 22681640
5-oxo-1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxylic acid
CID 168691390
1-[2-(4-methoxyphenyl)ethyl]-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113184695
(4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one
CID 71239800
1-[2-[4-(naphthalen-1-ylmethoxy)phenyl]ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 22686397
1-[[4-(2-methylpropoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690490
(4-methylphenyl) 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 42997190

Frequently Asked Questions

What is the IUPAC name of (3R)-5-oxo-1-[2-(4-propan-2-yloxyphenyl)ethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-5-oxo-1-[2-(4-propan-2-yloxyphenyl)ethyl]pyrrolidine-3-carboxylic acid (CID 95147392) is (3R)-5-oxo-1-[2-(4-propan-2-yloxyphenyl)ethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-5-oxo-1-[2-(4-propan-2-yloxyphenyl)ethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-5-oxo-1-[2-(4-propan-2-yloxyphenyl)ethyl]pyrrolidine-3-carboxylic acid is CC(C)Oc1ccc(CCN2C[C@H](C(=O)O)CC2=O)cc1.
What is the InChIKey of (3R)-5-oxo-1-[2-(4-propan-2-yloxyphenyl)ethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is FGXTUXIMMZUNMW-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21NO4/c1-11(2)21-14-5-3-12(4-6-14)7-8-17-10-13(16(19)20)9-15(17)18/h3-6,11,13H,7-10H2,1-2H3,(H,19,20)/t13-/m1/s1.
What are the key properties of (3R)-5-oxo-1-[2-(4-propan-2-yloxyphenyl)ethyl]pyrrolidine-3-carboxylic acid?
(3R)-5-oxo-1-[2-(4-propan-2-yloxyphenyl)ethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-oxo-1-[2-(4-propan-2-yloxyphenyl)ethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 95147392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).