1-(2-hydroxy-2-phenylacetyl)-4-methylpyrrolidine-3-carboxylic acid

C14H17NO4 — CID 63721911

IUPAC1-(2-hydroxy-2-phenylacetyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)C(O)c2ccccc2)CC1C(=O)O
InChIInChI=1S/C14H17NO4/c1-9-7-15(8-11(9)14(18)19)13(17)12(16)10-5-3-2-4-6-10/h2-6,9,11-12,16H,7-8H2,1H3,(H,18,19)
InChIKeyBGISRHYQBICAIT-UHFFFAOYSA-N
MW263.29 g/mol
LogP0.90
Rot. Bonds3

About 1-(2-hydroxy-2-phenylacetyl)-4-methylpyrrolidine-3-carboxylic acid

1-(2-hydroxy-2-phenylacetyl)-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 63721911) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-(2-hydroxy-2-phenylacetyl)-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxy-2-phenylacetyl)-4-methylpyrrolidine-3-carboxylic acid
PubChem CID63721911
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name1-(2-hydroxy-2-phenylacetyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)C(O)c2ccccc2)CC1C(=O)O
InChIInChI=1S/C14H17NO4/c1-9-7-15(8-11(9)14(18)19)13(17)12(16)10-5-3-2-4-6-10/h2-6,9,11-12,16H,7-8H2,1H3,(H,18,19)
InChIKeyBGISRHYQBICAIT-UHFFFAOYSA-N
XLogP0.90
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,5R)-3-[(2R)-2-hydroxy-2-phenylacetyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 77085743
(3S,4S)-4-methyl-1-(3-phenylbutanoyl)pyrrolidine-3-carboxylic acid
CID 120951995
(3S,4S)-1-[2-(3-fluorophenyl)propanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120953267
(3S,4S)-4-methyl-1-(2-phenylsulfanylbutanoyl)pyrrolidine-3-carboxylic acid
CID 120952944
1-(2-hydroxy-2-phenylethyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721423
(2S)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 11257941
(2R)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 25233871
1-[(3S)-3-aminopyrrolidin-1-yl]-2-hydroxy-2-phenylethanone
CID 115302102
1-(3-aminopyrrolidin-1-yl)-2-hydroxy-2-phenylethanone
CID 62068275
(3S,4S)-4-methyl-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid
CID 120952873
2-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-phenylethanone
CID 111539102
(3S,4S)-4-methyl-1-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)pyrrolidine-3-carboxylic acid
CID 122120914

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-phenylacetyl)-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-hydroxy-2-phenylacetyl)-4-methylpyrrolidine-3-carboxylic acid (CID 63721911) is 1-(2-hydroxy-2-phenylacetyl)-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxy-2-phenylacetyl)-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-hydroxy-2-phenylacetyl)-4-methylpyrrolidine-3-carboxylic acid is CC1CN(C(=O)C(O)c2ccccc2)CC1C(=O)O.
What is the InChIKey of 1-(2-hydroxy-2-phenylacetyl)-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is BGISRHYQBICAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9-7-15(8-11(9)14(18)19)13(17)12(16)10-5-3-2-4-6-10/h2-6,9,11-12,16H,7-8H2,1H3,(H,18,19).
What are the key properties of 1-(2-hydroxy-2-phenylacetyl)-4-methylpyrrolidine-3-carboxylic acid?
1-(2-hydroxy-2-phenylacetyl)-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-phenylacetyl)-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63721911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).