2-[[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]-propylamino]acetic acid

C17H22N2O5 — CID 119205241

IUPAC2-[[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)COc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C17H22N2O5/c1-2-8-18(11-17(22)23)16(21)12-24-14-6-3-5-13(10-14)19-9-4-7-15(19)20/h3,5-6,10H,2,4,7-9,11-12H2,1H3,(H,22,23)
InChIKeyKSEHHNOLQJYRLW-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.52
Rot. Bonds8

About 2-[[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]-propylamino]acetic acid

2-[[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]-propylamino]acetic acid (PubChem CID 119205241) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-[[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]-propylamino]acetic acid
PubChem CID119205241
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name2-[[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)COc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C17H22N2O5/c1-2-8-18(11-17(22)23)16(21)12-24-14-6-3-5-13(10-14)19-9-4-7-15(19)20/h3,5-6,10H,2,4,7-9,11-12H2,1H3,(H,22,23)
InChIKeyKSEHHNOLQJYRLW-UHFFFAOYSA-N
XLogP1.52
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886483
N-[(4-ethylphenyl)methyl]-N-methyl-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 18097963
4-[3-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid
CID 43665961
2-[3-[2-(dipropylamino)-2-oxoethoxy]phenoxy]-N,N-dipropylacetamide
CID 71326234
(2R)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoic acid
CID 103337920
methyl 2,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoate
CID 79620550
1-[3-(3-oxopentan-2-yloxy)phenyl]pyrrolidin-2-one
CID 64865890
N-(2-hydroxyethyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 78823345
N-(3-aminobutyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 119496961
N-(2,2-dimethyl-1-phenylpropyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 78864739
2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-[(4-propoxyphenyl)methyl]acetamide
CID 87005089
N-cyclooctyl-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 18106196

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]-propylamino]acetic acid?
The IUPAC name of 2-[[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]-propylamino]acetic acid (CID 119205241) is 2-[[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)COc1cccc(N2CCCC2=O)c1.
What is the InChIKey of 2-[[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]-propylamino]acetic acid?
The InChIKey is KSEHHNOLQJYRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-2-8-18(11-17(22)23)16(21)12-24-14-6-3-5-13(10-14)19-9-4-7-15(19)20/h3,5-6,10H,2,4,7-9,11-12H2,1H3,(H,22,23).
What are the key properties of 2-[[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]-propylamino]acetic acid?
2-[[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]-propylamino]acetic acid has a molecular weight of 334.37 g/mol, XLogP of 1.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]-propylamino]acetic acid is sourced from PubChem (CID 119205241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).