(2R)-1-[2-(3-acetylphenoxy)acetyl]pyrrolidine-2-carboxylic acid

C15H17NO5 — CID 119370741

IUPAC(2R)-1-[2-(3-acetylphenoxy)acetyl]pyrrolidine-2-carboxylic acid
SMILESCC(=O)c1cccc(OCC(=O)N2CCC[C@@H]2C(=O)O)c1
InChIInChI=1S/C15H17NO5/c1-10(17)11-4-2-5-12(8-11)21-9-14(18)16-7-3-6-13(16)15(19)20/h2,4-5,8,13H,3,6-7,9H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyOIOWPUKBNPBTCZ-CYBMUJFWSA-N
MW291.30 g/mol
LogP1.34
Rot. Bonds5

About (2R)-1-[2-(3-acetylphenoxy)acetyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-(3-acetylphenoxy)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 119370741) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is (2R)-1-[2-(3-acetylphenoxy)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(3-acetylphenoxy)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID119370741
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name(2R)-1-[2-(3-acetylphenoxy)acetyl]pyrrolidine-2-carboxylic acid
SMILESCC(=O)c1cccc(OCC(=O)N2CCC[C@@H]2C(=O)O)c1
InChIInChI=1S/C15H17NO5/c1-10(17)11-4-2-5-12(8-11)21-9-14(18)16-7-3-6-13(16)15(19)20/h2,4-5,8,13H,3,6-7,9H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyOIOWPUKBNPBTCZ-CYBMUJFWSA-N
XLogP1.34
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-1-[2-(3-acetylphenoxy)acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122114832
(2R)-1-[2-(3-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 39165023
(2R)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 78921941
1-[2-(3-methylphenoxy)acetyl]piperidine-2-carboxylic acid
CID 43092194
(2R)-1-[2-(3-acetylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119372078
1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-2-carboxylic acid
CID 43092192
(2R)-1-[2-(4-ethylphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 78922418
2-(3-acetylphenoxy)-1-(4-aminopiperidin-1-yl)ethanone
CID 119376034
(2R)-1-[2-(4-phenylmethoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 119370502
1-[5-(3-methylphenoxy)pentanoyl]pyrrolidine-2-carboxylic acid
CID 119355758
1-(3-propoxybenzoyl)piperidine-2-carboxylic acid
CID 62406215
2-(3-acetylphenoxy)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone
CID 55394267

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(3-acetylphenoxy)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(3-acetylphenoxy)acetyl]pyrrolidine-2-carboxylic acid (CID 119370741) is (2R)-1-[2-(3-acetylphenoxy)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(3-acetylphenoxy)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(3-acetylphenoxy)acetyl]pyrrolidine-2-carboxylic acid is CC(=O)c1cccc(OCC(=O)N2CCC[C@@H]2C(=O)O)c1.
What is the InChIKey of (2R)-1-[2-(3-acetylphenoxy)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is OIOWPUKBNPBTCZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17NO5/c1-10(17)11-4-2-5-12(8-11)21-9-14(18)16-7-3-6-13(16)15(19)20/h2,4-5,8,13H,3,6-7,9H2,1H3,(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-1-[2-(3-acetylphenoxy)acetyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-(3-acetylphenoxy)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 291.30 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(3-acetylphenoxy)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119370741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).