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

C14H17NO4 — CID 43351519

IUPAC4-[4-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid
SMILESO=C(O)CCCOc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C14H17NO4/c16-13-3-1-9-15(13)11-5-7-12(8-6-11)19-10-2-4-14(17)18/h5-8H,1-4,9-10H2,(H,17,18)
InChIKeyYFNZDBZKCQXMGS-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.06
Rot. Bonds6

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

4-[4-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid (PubChem CID 43351519) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 4-[4-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid.

Molecular Properties

Compound Name4-[4-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid
PubChem CID43351519
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name4-[4-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid
SMILESO=C(O)CCCOc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C14H17NO4/c16-13-3-1-9-15(13)11-5-7-12(8-6-11)19-10-2-4-14(17)18/h5-8H,1-4,9-10H2,(H,17,18)
InChIKeyYFNZDBZKCQXMGS-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-[3-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid
CID 43665961
phenyl 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 27444483
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
2-[3-[4-(2-oxopyrrolidin-1-yl)phenoxy]azetidin-3-yl]acetic acid
CID 107140819
N-[2-(4-chlorophenoxy)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 26663251
N-(3-methylbutan-2-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 51228621
3-(4-acetylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 34236405
1-[4-[(E)-3-(4-pentoxyphenyl)prop-2-enoyl]phenyl]pyrrolidin-2-one
CID 7638070
1-[4-[2-(4-propanoylphenoxy)acetyl]phenyl]pyrrolidin-2-one
CID 8650952
4-(2-oxopiperidin-1-yl)-N-(2-phenoxyethyl)benzamide
CID 32934030
1-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine
CID 111413462
N-[4-(4-fluorophenoxy)butyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 32644603

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid?
The IUPAC name of 4-[4-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid (CID 43351519) is 4-[4-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid.
What is the SMILES notation for 4-[4-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid?
The canonical SMILES for 4-[4-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid is O=C(O)CCCOc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 4-[4-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid?
The InChIKey is YFNZDBZKCQXMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c16-13-3-1-9-15(13)11-5-7-12(8-6-11)19-10-2-4-14(17)18/h5-8H,1-4,9-10H2,(H,17,18).
What are the key properties of 4-[4-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid?
4-[4-(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-[4-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid is sourced from PubChem (CID 43351519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).