2-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-2-yl]acetic acid

C14H16ClNO3 — CID 62505452

IUPAC2-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C14H16ClNO3/c15-11-4-1-3-10(7-11)8-13(17)16-6-2-5-12(16)9-14(18)19/h1,3-4,7,12H,2,5-6,8-9H2,(H,18,19)
InChIKeyGIFHRECLOLOIAY-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.35
Rot. Bonds4

About 2-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-2-yl]acetic acid

2-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-2-yl]acetic acid (PubChem CID 62505452) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is 2-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-2-yl]acetic acid
PubChem CID62505452
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name2-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C14H16ClNO3/c15-11-4-1-3-10(7-11)8-13(17)16-6-2-5-12(16)9-14(18)19/h1,3-4,7,12H,2,5-6,8-9H2,(H,18,19)
InChIKeyGIFHRECLOLOIAY-UHFFFAOYSA-N
XLogP2.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 79030258
1-[2-(2-bromopropyl)pyrrolidin-1-yl]-2-(3-chlorophenyl)ethanone
CID 112748459
2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-2-yl]acetic acid
CID 61009136
2-[1-[2-(5-chloro-2-methoxyphenyl)acetyl]pyrrolidin-2-yl]acetic acid
CID 61372432
2-[1-[2-(3-hydroxyphenyl)acetyl]pyrrolidin-2-yl]-1-phenylethanone
CID 86785890
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61010111
2-[1-(2-pyridin-4-ylacetyl)piperidin-2-yl]acetic acid
CID 54899853
2-(3-aminophenyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62498208
2-[1-(2,4-dichlorobenzoyl)pyrrolidin-2-yl]acetic acid
CID 61372414
1-[2-(bromomethyl)pyrrolidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 80678156
2-[(2S)-1-[2-(3-fluorophenyl)acetyl]piperidin-2-yl]acetamide
CID 95294234
3-amino-4-(3-chlorophenyl)-1-[(2R)-2-ethylpyrrolidin-1-yl]butan-1-one
CID 143059775

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-2-yl]acetic acid (CID 62505452) is 2-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1C(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is GIFHRECLOLOIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c15-11-4-1-3-10(7-11)8-13(17)16-6-2-5-12(16)9-14(18)19/h1,3-4,7,12H,2,5-6,8-9H2,(H,18,19).
What are the key properties of 2-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-2-yl]acetic acid?
2-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 281.74 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 62505452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).