(2R)-1-(2-phenylacetyl)oxypyrrolidine-2-carboxylic acid

C13H15NO4 — CID 682262

IUPAC(2R)-1-(2-phenylacetyl)oxypyrrolidine-2-carboxylic acid
SMILESO=C(Cc1ccccc1)ON1CCC[C@@H]1C(=O)O
InChIInChI=1S/C13H15NO4/c15-12(9-10-5-2-1-3-6-10)18-14-8-4-7-11(14)13(16)17/h1-3,5-6,11H,4,7-9H2,(H,16,17)/t11-/m1/s1
InChIKeyKJGLWBBIQFSZIQ-LLVKDONJSA-N
MW249.27 g/mol
LogP1.24
Rot. Bonds4

About (2R)-1-(2-phenylacetyl)oxypyrrolidine-2-carboxylic acid

(2R)-1-(2-phenylacetyl)oxypyrrolidine-2-carboxylic acid (PubChem CID 682262) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is (2R)-1-(2-phenylacetyl)oxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2-phenylacetyl)oxypyrrolidine-2-carboxylic acid
PubChem CID682262
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name(2R)-1-(2-phenylacetyl)oxypyrrolidine-2-carboxylic acid
SMILESO=C(Cc1ccccc1)ON1CCC[C@@H]1C(=O)O
InChIInChI=1S/C13H15NO4/c15-12(9-10-5-2-1-3-6-10)18-14-8-4-7-11(14)13(16)17/h1-3,5-6,11H,4,7-9H2,(H,16,17)/t11-/m1/s1
InChIKeyKJGLWBBIQFSZIQ-LLVKDONJSA-N
XLogP1.24
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-oxo-3-(2-phenylacetyl)oxy-1,3-thiazinane-4-carboxylic acid
CID 110191143
(2S)-1-benzylsulfonylpyrrolidine-2-carboxylic acid
CID 10199278
1-(1-methylpyrrolidin-2-yl)-2-phenylethanone
CID 129033929
thiomorpholin-4-yl 2-phenylacetate
CID 174483517
(1-methylpiperidin-3-yl) 2-phenylacetate
CID 86143291
1-(1-phenylprop-2-ynoxy)pyrrolidine-2-carboxylic acid
CID 87255380
(2R)-1-(phenylmethoxycarbonylamino)pyrrolidine-2-carboxylic acid
CID 91667012
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
(2-carbamoylpyrrolidin-1-yl) benzoate
CID 126553018
cyclopropyl 2-phenylacetate
CID 135066962
(2R)-1-[2-(4-phenylmethoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 119370502
1-benzylpiperidine-2,6-dicarboxylic acid;hydrochloride
CID 67045968

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-phenylacetyl)oxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2-phenylacetyl)oxypyrrolidine-2-carboxylic acid (CID 682262) is (2R)-1-(2-phenylacetyl)oxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2-phenylacetyl)oxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2-phenylacetyl)oxypyrrolidine-2-carboxylic acid is O=C(Cc1ccccc1)ON1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-(2-phenylacetyl)oxypyrrolidine-2-carboxylic acid?
The InChIKey is KJGLWBBIQFSZIQ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15NO4/c15-12(9-10-5-2-1-3-6-10)18-14-8-4-7-11(14)13(16)17/h1-3,5-6,11H,4,7-9H2,(H,16,17)/t11-/m1/s1.
What are the key properties of (2R)-1-(2-phenylacetyl)oxypyrrolidine-2-carboxylic acid?
(2R)-1-(2-phenylacetyl)oxypyrrolidine-2-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-phenylacetyl)oxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 682262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).