(2S,4R)-1-acetyl-4-hydroxy-N-(2-phenylethyl)pyrrolidine-2-carboxamide

C15H20N2O3 — CID 91982515

IUPAC(2S,4R)-1-acetyl-4-hydroxy-N-(2-phenylethyl)pyrrolidine-2-carboxamide
SMILESCC(=O)N1C[C@H](O)C[C@H]1C(=O)NCCc1ccccc1
InChIInChI=1S/C15H20N2O3/c1-11(18)17-10-13(19)9-14(17)15(20)16-8-7-12-5-3-2-4-6-12/h2-6,13-14,19H,7-10H2,1H3,(H,16,20)/t13-,14+/m1/s1
InChIKeyGTPHOTKKJNWJTO-KGLIPLIRSA-N
MW276.34 g/mol
LogP0.33
Rot. Bonds4

About (2S,4R)-1-acetyl-4-hydroxy-N-(2-phenylethyl)pyrrolidine-2-carboxamide

(2S,4R)-1-acetyl-4-hydroxy-N-(2-phenylethyl)pyrrolidine-2-carboxamide (PubChem CID 91982515) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2S,4R)-1-acetyl-4-hydroxy-N-(2-phenylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-acetyl-4-hydroxy-N-(2-phenylethyl)pyrrolidine-2-carboxamide
PubChem CID91982515
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(2S,4R)-1-acetyl-4-hydroxy-N-(2-phenylethyl)pyrrolidine-2-carboxamide
SMILESCC(=O)N1C[C@H](O)C[C@H]1C(=O)NCCc1ccccc1
InChIInChI=1S/C15H20N2O3/c1-11(18)17-10-13(19)9-14(17)15(20)16-8-7-12-5-3-2-4-6-12/h2-6,13-14,19H,7-10H2,1H3,(H,16,20)/t13-,14+/m1/s1
InChIKeyGTPHOTKKJNWJTO-KGLIPLIRSA-N
XLogP0.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-1-acetyl-N-(2-benzyl-3-phenylpropyl)-4-hydroxypyrrolidine-2-carboxamide
CID 154868693
(2S)-1-acetyl-N-(2-phenylethyl)piperazine-2-carboxamide
CID 124958895
(2S,4R)-1-[(2R)-2-acetamido-3,3-dimethylbutanoyl]-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 177375259
(2R,4R)-4-hydroxy-1-(3-phenylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 79000393
(2R,4S)-4-hydroxy-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]-N-(3-methylbutyl)pyrrolidine-2-carboxamide
CID 101041451
methyl 4-hydroxy-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate
CID 115970990
(2R,4R)-2-N-benzyl-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 7443674
(2R,4R)-1-acetyl-4-hydroxy-N-[[4-(2-methylbutan-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 136581459
(2R,4S)-1-acetyl-4-hydroxy-N-[(2-methyl-1-benzofuran-3-yl)methyl]pyrrolidine-2-carboxamide
CID 119051010
(2R,4R)-2-N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 7450544
phenyl (2S,4S)-4-hydroxy-2-(2-methoxyethylcarbamoyl)pyrrolidine-1-carboxylate
CID 126010367
3-acetyl-2-(2-methylpropyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 42744854

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-acetyl-4-hydroxy-N-(2-phenylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-acetyl-4-hydroxy-N-(2-phenylethyl)pyrrolidine-2-carboxamide (CID 91982515) is (2S,4R)-1-acetyl-4-hydroxy-N-(2-phenylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-acetyl-4-hydroxy-N-(2-phenylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-acetyl-4-hydroxy-N-(2-phenylethyl)pyrrolidine-2-carboxamide is CC(=O)N1C[C@H](O)C[C@H]1C(=O)NCCc1ccccc1.
What is the InChIKey of (2S,4R)-1-acetyl-4-hydroxy-N-(2-phenylethyl)pyrrolidine-2-carboxamide?
The InChIKey is GTPHOTKKJNWJTO-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(18)17-10-13(19)9-14(17)15(20)16-8-7-12-5-3-2-4-6-12/h2-6,13-14,19H,7-10H2,1H3,(H,16,20)/t13-,14+/m1/s1.
What are the key properties of (2S,4R)-1-acetyl-4-hydroxy-N-(2-phenylethyl)pyrrolidine-2-carboxamide?
(2S,4R)-1-acetyl-4-hydroxy-N-(2-phenylethyl)pyrrolidine-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-acetyl-4-hydroxy-N-(2-phenylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 91982515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).