(2R)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid

C15H17N3O3 — CID 119913908

IUPAC(2R)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid
SMILESCc1cccc(-c2noc(CN3CCC[C@@H]3C(=O)O)n2)c1
InChIInChI=1S/C15H17N3O3/c1-10-4-2-5-11(8-10)14-16-13(21-17-14)9-18-7-3-6-12(18)15(19)20/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,19,20)/t12-/m1/s1
InChIKeyHWAWPPLXJWDZOI-GFCCVEGCSA-N
MW287.32 g/mol
LogP2.09
Rot. Bonds4

About (2R)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid

(2R)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid (PubChem CID 119913908) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is (2R)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid
PubChem CID119913908
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name(2R)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid
SMILESCc1cccc(-c2noc(CN3CCC[C@@H]3C(=O)O)n2)c1
InChIInChI=1S/C15H17N3O3/c1-10-4-2-5-11(8-10)14-16-13(21-17-14)9-18-7-3-6-12(18)15(19)20/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,19,20)/t12-/m1/s1
InChIKeyHWAWPPLXJWDZOI-GFCCVEGCSA-N
XLogP2.09
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid
CID 124688617
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid
CID 43442013
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 134031664
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3-carboxylic acid
CID 119904127
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929866
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-ol
CID 47028787
1-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid
CID 119908671
[1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 43929878
1-[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909036
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 86969556
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909011
1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909685

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid (CID 119913908) is (2R)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid is Cc1cccc(-c2noc(CN3CCC[C@@H]3C(=O)O)n2)c1.
What is the InChIKey of (2R)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is HWAWPPLXJWDZOI-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-4-2-5-11(8-10)14-16-13(21-17-14)9-18-7-3-6-12(18)15(19)20/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,19,20)/t12-/m1/s1.
What are the key properties of (2R)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119913908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).