4-[3-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid

C14H17NO4 — CID 43665961

IUPAC4-[3-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid
SMILESO=C(O)CCCOc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C14H17NO4/c16-13-6-2-8-15(13)11-4-1-5-12(10-11)19-9-3-7-14(17)18/h1,4-5,10H,2-3,6-9H2,(H,17,18)
InChIKeyKSYUDFUGVWVRTO-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.06
Rot. Bonds6

About 4-[3-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid

4-[3-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid (PubChem CID 43665961) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 4-[3-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid.

Molecular Properties

Compound Name4-[3-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid
PubChem CID43665961
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name4-[3-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid
SMILESO=C(O)CCCOc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C14H17NO4/c16-13-6-2-8-15(13)11-4-1-5-12(10-11)19-9-3-7-14(17)18/h1,4-5,10H,2-3,6-9H2,(H,17,18)
InChIKeyKSYUDFUGVWVRTO-UHFFFAOYSA-N
XLogP2.06
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid
CID 43351519
5-[3-(2-oxopyrrolidin-1-yl)phenoxy]pentanehydrazide
CID 63570883
1-[3-[3-(4-methoxyphenoxy)propoxy]phenyl]pyrrolidin-2-one
CID 39992148
(2R)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoic acid
CID 103337920
1-[3-[3-(2-oxopyrrolidin-1-yl)phenoxy]phenyl]pyrrolidin-2-one
CID 142760205
N-methyl-3-(2-oxopyrrolidin-1-yl)-N-(3-phenoxypropyl)benzamide
CID 55654163
N-cyclooctyl-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 18106196
methyl 2,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoate
CID 79620550
1-[3-[2-(2-oxocyclopentyl)ethoxy]phenyl]pyrrolidin-2-one
CID 79577774
N-(2-hydroxyethyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 78823345
[3-(2-oxopyrrolidin-1-yl)phenyl] 3-(2,6-dimethylphenoxy)propanoate
CID 78895132
2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(1-phenylpiperidin-4-yl)acetamide
CID 86828694

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid?
The IUPAC name of 4-[3-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid (CID 43665961) is 4-[3-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid.
What is the SMILES notation for 4-[3-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid?
The canonical SMILES for 4-[3-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid is O=C(O)CCCOc1cccc(N2CCCC2=O)c1.
What is the InChIKey of 4-[3-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid?
The InChIKey is KSYUDFUGVWVRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c16-13-6-2-8-15(13)11-4-1-5-12(10-11)19-9-3-7-14(17)18/h1,4-5,10H,2-3,6-9H2,(H,17,18).
What are the key properties of 4-[3-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid?
4-[3-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid has a molecular weight of 263.29 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid is sourced from PubChem (CID 43665961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).