(2R)-1-[2-(4-acetylphenyl)acetyl]pyrrolidine-2-carboxylic acid

C15H17NO4 — CID 119372064

IUPAC(2R)-1-[2-(4-acetylphenyl)acetyl]pyrrolidine-2-carboxylic acid
SMILESCC(=O)c1ccc(CC(=O)N2CCC[C@@H]2C(=O)O)cc1
InChIInChI=1S/C15H17NO4/c1-10(17)12-6-4-11(5-7-12)9-14(18)16-8-2-3-13(16)15(19)20/h4-7,13H,2-3,8-9H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyYFIHQHLMDUHYSZ-CYBMUJFWSA-N
MW275.30 g/mol
LogP1.51
Rot. Bonds4

About (2R)-1-[2-(4-acetylphenyl)acetyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-(4-acetylphenyl)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 119372064) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is (2R)-1-[2-(4-acetylphenyl)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(4-acetylphenyl)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID119372064
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name(2R)-1-[2-(4-acetylphenyl)acetyl]pyrrolidine-2-carboxylic acid
SMILESCC(=O)c1ccc(CC(=O)N2CCC[C@@H]2C(=O)O)cc1
InChIInChI=1S/C15H17NO4/c1-10(17)12-6-4-11(5-7-12)9-14(18)16-8-2-3-13(16)15(19)20/h4-7,13H,2-3,8-9H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyYFIHQHLMDUHYSZ-CYBMUJFWSA-N
XLogP1.51
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-fluorophenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 16796004
(2R)-1-[2-[4-(dimethylamino)phenyl]acetyl]pyrrolidine-2-carboxylic acid
CID 57426175
(2R)-1-[2-[4-(trifluoromethyl)phenyl]acetyl]pyrrolidine-2-carboxylic acid
CID 78920281
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 43239484
1-[2-(4-hydroxyphenyl)acetyl]azepane-2-carboxylic acid
CID 64558978
(2S)-1-[2-(6-methyl-3-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid
CID 119364937
1-[5-(4-acetylphenyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355877
1-[2-[4-(difluoromethoxy)phenyl]acetyl]pyrrolidine-2-carboxylic acid
CID 43170890
(2S)-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]pyrrolidine-2-carboxylic acid
CID 119366022
1-[2-(5-acetyl-2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 119176135
(2R)-1-[4-(methylsulfanylmethyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 78922083
1-[2-(4-carbamothioylphenyl)acetyl]pyrrolidine-2-carboxamide
CID 63591025

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(4-acetylphenyl)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(4-acetylphenyl)acetyl]pyrrolidine-2-carboxylic acid (CID 119372064) is (2R)-1-[2-(4-acetylphenyl)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(4-acetylphenyl)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(4-acetylphenyl)acetyl]pyrrolidine-2-carboxylic acid is CC(=O)c1ccc(CC(=O)N2CCC[C@@H]2C(=O)O)cc1.
What is the InChIKey of (2R)-1-[2-(4-acetylphenyl)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is YFIHQHLMDUHYSZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17NO4/c1-10(17)12-6-4-11(5-7-12)9-14(18)16-8-2-3-13(16)15(19)20/h4-7,13H,2-3,8-9H2,1H3,(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-1-[2-(4-acetylphenyl)acetyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-(4-acetylphenyl)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(4-acetylphenyl)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119372064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).