4-hydroxy-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-2-carboxylic acid

C15H19NO4 — CID 43183753

IUPAC4-hydroxy-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)(C(=O)N1CC(O)CC1C(=O)O)c1ccccc1
InChIInChI=1S/C15H19NO4/c1-15(2,10-6-4-3-5-7-10)14(20)16-9-11(17)8-12(16)13(18)19/h3-7,11-12,17H,8-9H2,1-2H3,(H,18,19)
InChIKeyHXOYCSSMJJAPCH-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.01
Rot. Bonds3

About 4-hydroxy-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-2-carboxylic acid

4-hydroxy-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 43183753) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-hydroxy-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-2-carboxylic acid
PubChem CID43183753
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name4-hydroxy-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)(C(=O)N1CC(O)CC1C(=O)O)c1ccccc1
InChIInChI=1S/C15H19NO4/c1-15(2,10-6-4-3-5-7-10)14(20)16-9-11(17)8-12(16)13(18)19/h3-7,11-12,17H,8-9H2,1-2H3,(H,18,19)
InChIKeyHXOYCSSMJJAPCH-UHFFFAOYSA-N
XLogP1.01
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(2-amino-2-phenylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 62489291
(2S,4S)-4-hydroxy-1-tritylpyrrolidine-2-carboxylic acid
CID 15927496
(2R,4R)-4-hydroxy-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid
CID 79000770
(2S)-4-hydroxy-1-phenoxycarbonylpyrrolidine-2-carboxylic acid
CID 61143134
(2S,4S)-4-hydroxy-1-phenoxycarbonylpyrrolidine-2-carboxylic acid
CID 683631
(2S)-4-hydroxy-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61143269
(2R,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30079769
(2S,4R)-1-[2-(ethylamino)-2-methylpropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843531
1-(2,3-dihydro-1H-indene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 106892310
(2S)-4-hydroxy-1-(3-methyl-1-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 61152228
(2S,4R)-4-hydroxy-1-(phenylcarbamothioyl)pyrrolidine-2-carboxylic acid
CID 739262
(2S)-1-(2-bromobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61151791

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-2-carboxylic acid (CID 43183753) is 4-hydroxy-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-2-carboxylic acid is CC(C)(C(=O)N1CC(O)CC1C(=O)O)c1ccccc1.
What is the InChIKey of 4-hydroxy-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is HXOYCSSMJJAPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-15(2,10-6-4-3-5-7-10)14(20)16-9-11(17)8-12(16)13(18)19/h3-7,11-12,17H,8-9H2,1-2H3,(H,18,19).
What are the key properties of 4-hydroxy-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-2-carboxylic acid?
4-hydroxy-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43183753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).