(2R,4R)-1-acetyl-4-hydroxy-N-[[4-(2-methylbutan-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide

C19H28N2O3 — CID 136581459

IUPAC(2R,4R)-1-acetyl-4-hydroxy-N-[[4-(2-methylbutan-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCCC(C)(C)c1ccc(CNC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)cc1
InChIInChI=1S/C19H28N2O3/c1-5-19(3,4)15-8-6-14(7-9-15)11-20-18(24)17-10-16(23)12-21(17)13(2)22/h6-9,16-17,23H,5,10-12H2,1-4H3,(H,20,24)/t16-,17-/m1/s1
InChIKeyAXQOWHFZVXUBFW-IAGOWNOFSA-N
MW332.44 g/mol
LogP1.97
Rot. Bonds5

About (2R,4R)-1-acetyl-4-hydroxy-N-[[4-(2-methylbutan-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide

(2R,4R)-1-acetyl-4-hydroxy-N-[[4-(2-methylbutan-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 136581459) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (2R,4R)-1-acetyl-4-hydroxy-N-[[4-(2-methylbutan-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-1-acetyl-4-hydroxy-N-[[4-(2-methylbutan-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID136581459
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(2R,4R)-1-acetyl-4-hydroxy-N-[[4-(2-methylbutan-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCCC(C)(C)c1ccc(CNC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)cc1
InChIInChI=1S/C19H28N2O3/c1-5-19(3,4)15-8-6-14(7-9-15)11-20-18(24)17-10-16(23)12-21(17)13(2)22/h6-9,16-17,23H,5,10-12H2,1-4H3,(H,20,24)/t16-,17-/m1/s1
InChIKeyAXQOWHFZVXUBFW-IAGOWNOFSA-N
XLogP1.97
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-1-[(2R)-2-acetamido-3,3-dimethylbutanoyl]-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 177375259
CID 123948130
CID 123948130
(2S,4R)-1-acetyl-4-hydroxy-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 91982515
(2S,4R)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 122423079
(2S,4R)-1-(2-amino-3,3-dimethylbutanoyl)-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 122423081
(2R,4S)-1-acetyl-4-hydroxy-N-[(2-methyl-1-benzofuran-3-yl)methyl]pyrrolidine-2-carboxamide
CID 119051010
tert-butyl N-[(2R)-1-[(2S,4R)-2-[(4-bromophenyl)methylcarbamoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 167723407
(2S,4R)-1-(3,3-dimethylbutanoyl)-N-[[4-(3,4-dimethyl-2,3-dihydrothiophen-5-yl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 167014307
(2S,4R)-1-acetyl-N-(2-benzyl-3-phenylpropyl)-4-hydroxypyrrolidine-2-carboxamide
CID 154868693
(2R,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[[4-(4-methyl-2,3-dihydro-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 155177556
(2R,4R)-2-N-benzyl-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 7443674
(2S)-1-(3,3-dimethylbutanoyl)-N-[[4-(3,5-dimethyl-2H-thiopyran-6-yl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 167014428

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-acetyl-4-hydroxy-N-[[4-(2-methylbutan-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R,4R)-1-acetyl-4-hydroxy-N-[[4-(2-methylbutan-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide (CID 136581459) is (2R,4R)-1-acetyl-4-hydroxy-N-[[4-(2-methylbutan-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4R)-1-acetyl-4-hydroxy-N-[[4-(2-methylbutan-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4R)-1-acetyl-4-hydroxy-N-[[4-(2-methylbutan-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide is CCC(C)(C)c1ccc(CNC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)cc1.
What is the InChIKey of (2R,4R)-1-acetyl-4-hydroxy-N-[[4-(2-methylbutan-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is AXQOWHFZVXUBFW-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-5-19(3,4)15-8-6-14(7-9-15)11-20-18(24)17-10-16(23)12-21(17)13(2)22/h6-9,16-17,23H,5,10-12H2,1-4H3,(H,20,24)/t16-,17-/m1/s1.
What are the key properties of (2R,4R)-1-acetyl-4-hydroxy-N-[[4-(2-methylbutan-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide?
(2R,4R)-1-acetyl-4-hydroxy-N-[[4-(2-methylbutan-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-acetyl-4-hydroxy-N-[[4-(2-methylbutan-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 136581459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).