(2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide

C13H16N2O3 — CID 110867482

IUPAC(2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(C(=O)N2CCC[C@H]2C(N)=O)cc1
InChIInChI=1S/C13H16N2O3/c1-18-10-6-4-9(5-7-10)13(17)15-8-2-3-11(15)12(14)16/h4-7,11H,2-3,8H2,1H3,(H2,14,16)/t11-/m0/s1
InChIKeyAPOFKKOBKZXIHJ-NSHDSACASA-N
MW248.28 g/mol
LogP0.79
Rot. Bonds3

About (2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide

(2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide (PubChem CID 110867482) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is (2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide
PubChem CID110867482
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name(2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(C(=O)N2CCC[C@H]2C(N)=O)cc1
InChIInChI=1S/C13H16N2O3/c1-18-10-6-4-9(5-7-10)13(17)15-8-2-3-11(15)12(14)16/h4-7,11H,2-3,8H2,1H3,(H2,14,16)/t11-/m0/s1
InChIKeyAPOFKKOBKZXIHJ-NSHDSACASA-N
XLogP0.79
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[4-(4-methoxyphenoxy)benzoyl]pyrrolidine-2-carboxamide
CID 46986685
[1-(4-methoxybenzoyl)pyrrolidin-2-yl]-(4-methylphenyl)methanone
CID 110394976
1-(4-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 43212216
(2S)-1-[4-[(1S)-1-phenylethoxy]benzoyl]pyrrolidine-2-carboxamide
CID 99834603
(2S)-1-[4-[(1R)-1-phenylethoxy]benzoyl]pyrrolidine-2-carboxamide
CID 99834604
1-(4-acetamidobenzoyl)pyrrolidine-2-carboxamide
CID 110473581
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 28706941
[4-(2-carbamoylpyrrolidine-1-carbonyl)phenyl]boronic acid
CID 66853498
(2R)-1-[2-fluoro-4-(4-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide
CID 96533912
(3-ethylazetidin-1-yl)-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]methanone
CID 136547093
1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]pyrrolidine-2-carboxamide
CID 71898935
(2S)-1-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzoyl]pyrrolidine-2-carboxamide
CID 124830013

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide (CID 110867482) is (2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide is COc1ccc(C(=O)N2CCC[C@H]2C(N)=O)cc1.
What is the InChIKey of (2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is APOFKKOBKZXIHJ-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N2O3/c1-18-10-6-4-9(5-7-10)13(17)15-8-2-3-11(15)12(14)16/h4-7,11H,2-3,8H2,1H3,(H2,14,16)/t11-/m0/s1.
What are the key properties of (2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide?
(2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide has a molecular weight of 248.28 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110867482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).