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

C16H19NO5 — CID 119372078

IUPAC(2R)-1-[2-(3-acetylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(=O)c1cccc(OC(C)C(=O)N2CCC[C@@H]2C(=O)O)c1
InChIInChI=1S/C16H19NO5/c1-10(18)12-5-3-6-13(9-12)22-11(2)15(19)17-8-4-7-14(17)16(20)21/h3,5-6,9,11,14H,4,7-8H2,1-2H3,(H,20,21)/t11?,14-/m1/s1
InChIKeyOXIMAOIATDEECD-SBXXRYSUSA-N
MW305.33 g/mol
LogP1.73
Rot. Bonds5

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

(2R)-1-[2-(3-acetylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 119372078) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is (2R)-1-[2-(3-acetylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(3-acetylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID119372078
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name(2R)-1-[2-(3-acetylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(=O)c1cccc(OC(C)C(=O)N2CCC[C@@H]2C(=O)O)c1
InChIInChI=1S/C16H19NO5/c1-10(18)12-5-3-6-13(9-12)22-11(2)15(19)17-8-4-7-14(17)16(20)21/h3,5-6,9,11,14H,4,7-8H2,1-2H3,(H,20,21)/t11?,14-/m1/s1
InChIKeyOXIMAOIATDEECD-SBXXRYSUSA-N
XLogP1.73
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(2S)-2-(3-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 92920729
2-(3-acetylphenoxy)-1-[2-(aminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119631303
2-(3-acetylphenoxy)-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]propan-1-one
CID 122151886
(2S)-1-[2-(3-fluorophenoxy)propanoyl]piperidine-2-carboxylic acid
CID 66263133
1-[2-(3-bromophenoxy)propanoyl]piperidine-2-carboxylic acid
CID 119176168
(2R)-1-(3-propan-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid
CID 78922398
2-(3-acetylphenoxy)-1-[2-(aminomethyl)piperidin-1-yl]propan-1-one
CID 119466539
(2R)-1-[2-(3-acetylphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 119370741
(2S)-1-[2-(4-chloro-3-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365846
1-[2-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid
CID 43239889
2-[2-(3-acetylphenoxy)propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 119213044
1-[2-(4-chlorophenoxy)propanoyl]piperidine-2-carboxylic acid
CID 43239854

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(3-acetylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(3-acetylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid (CID 119372078) is (2R)-1-[2-(3-acetylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(3-acetylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(3-acetylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid is CC(=O)c1cccc(OC(C)C(=O)N2CCC[C@@H]2C(=O)O)c1.
What is the InChIKey of (2R)-1-[2-(3-acetylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is OXIMAOIATDEECD-SBXXRYSUSA-N. The full InChI is InChI=1S/C16H19NO5/c1-10(18)12-5-3-6-13(9-12)22-11(2)15(19)17-8-4-7-14(17)16(20)21/h3,5-6,9,11,14H,4,7-8H2,1-2H3,(H,20,21)/t11?,14-/m1/s1.
What are the key properties of (2R)-1-[2-(3-acetylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-(3-acetylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 305.33 g/mol, XLogP of 1.73, 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)propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119372078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).