2-[1-[2-(5-chloro-2-methoxyphenyl)acetyl]pyrrolidin-2-yl]acetic acid

C15H18ClNO4 — CID 61372432

IUPAC2-[1-[2-(5-chloro-2-methoxyphenyl)acetyl]pyrrolidin-2-yl]acetic acid
SMILESCOc1ccc(Cl)cc1CC(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C15H18ClNO4/c1-21-13-5-4-11(16)7-10(13)8-14(18)17-6-2-3-12(17)9-15(19)20/h4-5,7,12H,2-3,6,8-9H2,1H3,(H,19,20)
InChIKeyHRVAXLFXNBPKLD-UHFFFAOYSA-N
MW311.76 g/mol
LogP2.36
Rot. Bonds5

About 2-[1-[2-(5-chloro-2-methoxyphenyl)acetyl]pyrrolidin-2-yl]acetic acid

2-[1-[2-(5-chloro-2-methoxyphenyl)acetyl]pyrrolidin-2-yl]acetic acid (PubChem CID 61372432) has the molecular formula C15H18ClNO4 and a molecular weight of 311.76 g/mol. Its IUPAC name is 2-[1-[2-(5-chloro-2-methoxyphenyl)acetyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(5-chloro-2-methoxyphenyl)acetyl]pyrrolidin-2-yl]acetic acid
PubChem CID61372432
Molecular FormulaC15H18ClNO4
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name2-[1-[2-(5-chloro-2-methoxyphenyl)acetyl]pyrrolidin-2-yl]acetic acid
SMILESCOc1ccc(Cl)cc1CC(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C15H18ClNO4/c1-21-13-5-4-11(16)7-10(13)8-14(18)17-6-2-3-12(17)9-15(19)20/h4-5,7,12H,2-3,6,8-9H2,1H3,(H,19,20)
InChIKeyHRVAXLFXNBPKLD-UHFFFAOYSA-N
XLogP2.36
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(5-chloro-2-methoxyphenyl)ethanone
CID 119630916
1-[2-(aminomethyl)piperidin-1-yl]-2-(5-chloro-2-methoxyphenyl)ethanone;hydrochloride
CID 119466190
2-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 61371710
2-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-2-yl]acetic acid
CID 62505452
(3S)-1-[2-(5-chloro-2-methoxyphenyl)acetyl]piperidine-3-carboxylic acid
CID 51519873
2-(5-chloro-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110767238
2-[1-(2,6-dimethoxybenzoyl)pyrrolidin-2-yl]acetic acid
CID 61371256
(3R)-4-[2-(5-chloro-2-methoxyphenyl)acetyl]morpholine-3-carboxylic acid
CID 124513245
(3S)-1-[2-(5-chloro-2-methoxyphenyl)acetyl]piperidine-3-carboxamide
CID 172675142
2-(5-benzyl-2-methoxyphenyl)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 100927470
2-[(2R)-1-[2-(5-acetyl-2-methoxyphenyl)acetyl]azepan-2-yl]-1-phenylethanone
CID 96533586
2-(5-chloro-2-methoxyphenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119559727

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(5-chloro-2-methoxyphenyl)acetyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-(5-chloro-2-methoxyphenyl)acetyl]pyrrolidin-2-yl]acetic acid (CID 61372432) is 2-[1-[2-(5-chloro-2-methoxyphenyl)acetyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(5-chloro-2-methoxyphenyl)acetyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(5-chloro-2-methoxyphenyl)acetyl]pyrrolidin-2-yl]acetic acid is COc1ccc(Cl)cc1CC(=O)N1CCCC1CC(=O)O.
What is the InChIKey of 2-[1-[2-(5-chloro-2-methoxyphenyl)acetyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is HRVAXLFXNBPKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO4/c1-21-13-5-4-11(16)7-10(13)8-14(18)17-6-2-3-12(17)9-15(19)20/h4-5,7,12H,2-3,6,8-9H2,1H3,(H,19,20).
What are the key properties of 2-[1-[2-(5-chloro-2-methoxyphenyl)acetyl]pyrrolidin-2-yl]acetic acid?
2-[1-[2-(5-chloro-2-methoxyphenyl)acetyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 311.76 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(5-chloro-2-methoxyphenyl)acetyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61372432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).