(3S,4S)-1-(3-methoxybenzoyl)-4-methylpyrrolidine-3-carboxamide

C14H18N2O3 — CID 122132864

IUPAC(3S,4S)-1-(3-methoxybenzoyl)-4-methylpyrrolidine-3-carboxamide
SMILESCOc1cccc(C(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)c1
InChIInChI=1S/C14H18N2O3/c1-9-7-16(8-12(9)13(15)17)14(18)10-4-3-5-11(6-10)19-2/h3-6,9,12H,7-8H2,1-2H3,(H2,15,17)/t9-,12-/m1/s1
InChIKeyQUOWORGKZLDDCF-BXKDBHETSA-N
MW262.31 g/mol
LogP0.89
Rot. Bonds3

About (3S,4S)-1-(3-methoxybenzoyl)-4-methylpyrrolidine-3-carboxamide

(3S,4S)-1-(3-methoxybenzoyl)-4-methylpyrrolidine-3-carboxamide (PubChem CID 122132864) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (3S,4S)-1-(3-methoxybenzoyl)-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-(3-methoxybenzoyl)-4-methylpyrrolidine-3-carboxamide
PubChem CID122132864
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(3S,4S)-1-(3-methoxybenzoyl)-4-methylpyrrolidine-3-carboxamide
SMILESCOc1cccc(C(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)c1
InChIInChI=1S/C14H18N2O3/c1-9-7-16(8-12(9)13(15)17)14(18)10-4-3-5-11(6-10)19-2/h3-6,9,12H,7-8H2,1-2H3,(H2,15,17)/t9-,12-/m1/s1
InChIKeyQUOWORGKZLDDCF-BXKDBHETSA-N
XLogP0.89
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxybenzoyl)-4-(phenoxymethyl)pyrrolidine-3-carboxamide
CID 156611450
(3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone
CID 63107497
(3,5-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 63874051
[(3aR,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-methoxyphenyl)methanone
CID 95043086
(3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51710348
(3S,4S)-1-(1H-indole-6-carbonyl)-4-methylpyrrolidine-3-carboxamide
CID 128983948
(3S,4S)-4-methyl-1-[3-(2-methylpropoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 120952417
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-methoxyphenyl)methanone
CID 102937854
(3S,4S)-1-[2-(cyclopropylmethoxy)-4-methoxybenzoyl]-4-methylpyrrolidine-3-carboxamide
CID 128988808
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
1-[4-[1-(3-methoxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone
CID 84579499
(3S,4S)-1-[4-methoxy-2-(3-methylbutoxy)benzoyl]-4-methylpyrrolidine-3-carboxamide
CID 128988778

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(3-methoxybenzoyl)-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-(3-methoxybenzoyl)-4-methylpyrrolidine-3-carboxamide (CID 122132864) is (3S,4S)-1-(3-methoxybenzoyl)-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-(3-methoxybenzoyl)-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-(3-methoxybenzoyl)-4-methylpyrrolidine-3-carboxamide is COc1cccc(C(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)c1.
What is the InChIKey of (3S,4S)-1-(3-methoxybenzoyl)-4-methylpyrrolidine-3-carboxamide?
The InChIKey is QUOWORGKZLDDCF-BXKDBHETSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-7-16(8-12(9)13(15)17)14(18)10-4-3-5-11(6-10)19-2/h3-6,9,12H,7-8H2,1-2H3,(H2,15,17)/t9-,12-/m1/s1.
What are the key properties of (3S,4S)-1-(3-methoxybenzoyl)-4-methylpyrrolidine-3-carboxamide?
(3S,4S)-1-(3-methoxybenzoyl)-4-methylpyrrolidine-3-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(3-methoxybenzoyl)-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 122132864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).