(3S,4R)-4-(4-methoxyphenyl)-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxylic acid

C19H24N2O4 — CID 166291486

IUPAC(3S,4R)-4-(4-methoxyphenyl)-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESCOc1ccc([C@@H]2CN(Cc3cc(C(C)C)on3)C[C@H]2C(=O)O)cc1
InChIInChI=1S/C19H24N2O4/c1-12(2)18-8-14(20-25-18)9-21-10-16(17(11-21)19(22)23)13-4-6-15(24-3)7-5-13/h4-8,12,16-17H,9-11H2,1-3H3,(H,22,23)/t16-,17+/m0/s1
InChIKeyGZKVOIPBWDSGOI-DLBZAZTESA-N
MW344.41 g/mol
LogP3.11
Rot. Bonds6

About (3S,4R)-4-(4-methoxyphenyl)-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxylic acid

(3S,4R)-4-(4-methoxyphenyl)-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxylic acid (PubChem CID 166291486) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is (3S,4R)-4-(4-methoxyphenyl)-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4R)-4-(4-methoxyphenyl)-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
PubChem CID166291486
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name(3S,4R)-4-(4-methoxyphenyl)-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESCOc1ccc([C@@H]2CN(Cc3cc(C(C)C)on3)C[C@H]2C(=O)O)cc1
InChIInChI=1S/C19H24N2O4/c1-12(2)18-8-14(20-25-18)9-21-10-16(17(11-21)19(22)23)13-4-6-15(24-3)7-5-13/h4-8,12,16-17H,9-11H2,1-3H3,(H,22,23)/t16-,17+/m0/s1
InChIKeyGZKVOIPBWDSGOI-DLBZAZTESA-N
XLogP3.11
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R)-4-(4-methoxyphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 166267858
4-(4-methoxyphenyl)pyrrolidine-1,3-dicarboxylic acid
CID 135307106
(3S,4R)-1-benzyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 57356373
(3S,4R)-4-(3-methoxyphenyl)-1-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]pyrrolidine-3-carboxylic acid
CID 70786136
1-tert-butyl-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 72815396
(3S,4R)-1-(1-benzofuran-5-ylmethyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 70720231
(3S,4R)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 70727175
(3S,4R)-4-(3-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylic acid
CID 70738871
(3S,4R)-4-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 46944572
(3S,4R)-4-(4-fluorophenyl)-1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 70731942
(3S,4S)-1-benzyl-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 124708767
[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 56875502

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(4-methoxyphenyl)-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4R)-4-(4-methoxyphenyl)-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxylic acid (CID 166291486) is (3S,4R)-4-(4-methoxyphenyl)-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4R)-4-(4-methoxyphenyl)-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4R)-4-(4-methoxyphenyl)-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxylic acid is COc1ccc([C@@H]2CN(Cc3cc(C(C)C)on3)C[C@H]2C(=O)O)cc1.
What is the InChIKey of (3S,4R)-4-(4-methoxyphenyl)-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is GZKVOIPBWDSGOI-DLBZAZTESA-N. The full InChI is InChI=1S/C19H24N2O4/c1-12(2)18-8-14(20-25-18)9-21-10-16(17(11-21)19(22)23)13-4-6-15(24-3)7-5-13/h4-8,12,16-17H,9-11H2,1-3H3,(H,22,23)/t16-,17+/m0/s1.
What are the key properties of (3S,4R)-4-(4-methoxyphenyl)-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
(3S,4R)-4-(4-methoxyphenyl)-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 344.41 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(4-methoxyphenyl)-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 166291486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).