N-[(3R,4R)-4-hydroxy-1-(2-methoxybenzoyl)pyrrolidin-3-yl]acetamide

C14H18N2O4 — CID 110132924

IUPACN-[(3R,4R)-4-hydroxy-1-(2-methoxybenzoyl)pyrrolidin-3-yl]acetamide
SMILESCOc1ccccc1C(=O)N1C[C@@H](O)[C@H](NC(C)=O)C1
InChIInChI=1S/C14H18N2O4/c1-9(17)15-11-7-16(8-12(11)18)14(19)10-5-3-4-6-13(10)20-2/h3-6,11-12,18H,7-8H2,1-2H3,(H,15,17)/t11-,12-/m1/s1
InChIKeyYKPWVGAADMBYGY-VXGBXAGGSA-N
MW278.31 g/mol
LogP0.02
Rot. Bonds3

About N-[(3R,4R)-4-hydroxy-1-(2-methoxybenzoyl)pyrrolidin-3-yl]acetamide

N-[(3R,4R)-4-hydroxy-1-(2-methoxybenzoyl)pyrrolidin-3-yl]acetamide (PubChem CID 110132924) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxy-1-(2-methoxybenzoyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxy-1-(2-methoxybenzoyl)pyrrolidin-3-yl]acetamide
PubChem CID110132924
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-[(3R,4R)-4-hydroxy-1-(2-methoxybenzoyl)pyrrolidin-3-yl]acetamide
SMILESCOc1ccccc1C(=O)N1C[C@@H](O)[C@H](NC(C)=O)C1
InChIInChI=1S/C14H18N2O4/c1-9(17)15-11-7-16(8-12(11)18)14(19)10-5-3-4-6-13(10)20-2/h3-6,11-12,18H,7-8H2,1-2H3,(H,15,17)/t11-,12-/m1/s1
InChIKeyYKPWVGAADMBYGY-VXGBXAGGSA-N
XLogP0.02
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3R,4R)-4-hydroxy-1-(2-methoxybenzoyl)pyrrolidin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662304
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 10560934
(3-ethoxyazetidin-1-yl)-(2-methoxyphenyl)methanone
CID 123539708
(2-methoxyphenyl)-(3-methyl-4-phenylpyrrolidin-1-yl)methanone
CID 110868744
methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 84581536
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
(3-hydroxy-4,4-dimethylpiperidin-1-yl)-(2-methoxyphenyl)methanone
CID 115269834
2-[(3R,4S)-4-hydroxy-1-[2-(2-methoxyphenyl)benzoyl]pyrrolidin-3-yl]-N-methylacetamide
CID 146110717
(2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 50999804
(3-cyclohexylsulfonylazetidin-1-yl)-(2-methoxyphenyl)methanone
CID 71809296
(2-methoxyphenyl)-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone
CID 119101597
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 129367623

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxy-1-(2-methoxybenzoyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3R,4R)-4-hydroxy-1-(2-methoxybenzoyl)pyrrolidin-3-yl]acetamide (CID 110132924) is N-[(3R,4R)-4-hydroxy-1-(2-methoxybenzoyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxy-1-(2-methoxybenzoyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxy-1-(2-methoxybenzoyl)pyrrolidin-3-yl]acetamide is COc1ccccc1C(=O)N1C[C@@H](O)[C@H](NC(C)=O)C1.
What is the InChIKey of N-[(3R,4R)-4-hydroxy-1-(2-methoxybenzoyl)pyrrolidin-3-yl]acetamide?
The InChIKey is YKPWVGAADMBYGY-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9(17)15-11-7-16(8-12(11)18)14(19)10-5-3-4-6-13(10)20-2/h3-6,11-12,18H,7-8H2,1-2H3,(H,15,17)/t11-,12-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxy-1-(2-methoxybenzoyl)pyrrolidin-3-yl]acetamide?
N-[(3R,4R)-4-hydroxy-1-(2-methoxybenzoyl)pyrrolidin-3-yl]acetamide has a molecular weight of 278.31 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxy-1-(2-methoxybenzoyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 110132924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).