2-[4-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]oxan-4-yl]acetic acid

C18H22N2O5 — CID 119214743

IUPAC2-[4-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]oxan-4-yl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2ccc(N3CCCC3=O)cc2)CCOCC1
InChIInChI=1S/C18H22N2O5/c21-15-2-1-9-20(15)14-5-3-13(4-6-14)17(24)19-18(12-16(22)23)7-10-25-11-8-18/h3-6H,1-2,7-12H2,(H,19,24)(H,22,23)
InChIKeyZMDBKESPDKJNDW-UHFFFAOYSA-N
MW346.38 g/mol
LogP1.57
Rot. Bonds5

About 2-[4-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]oxan-4-yl]acetic acid

2-[4-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]oxan-4-yl]acetic acid (PubChem CID 119214743) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-[4-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]oxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]oxan-4-yl]acetic acid
PubChem CID119214743
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name2-[4-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]oxan-4-yl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2ccc(N3CCCC3=O)cc2)CCOCC1
InChIInChI=1S/C18H22N2O5/c21-15-2-1-9-20(15)14-5-3-13(4-6-14)17(24)19-18(12-16(22)23)7-10-25-11-8-18/h3-6H,1-2,7-12H2,(H,19,24)(H,22,23)
InChIKeyZMDBKESPDKJNDW-UHFFFAOYSA-N
XLogP1.57
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]oxan-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(4-ethylbenzoyl)amino]oxan-4-yl]acetic acid
CID 119215520
1-[4-(2-hydroxyethyl)oxan-4-yl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 71849127
2-[4-[(4-methylsulfonylbenzoyl)amino]oxan-4-yl]acetic acid
CID 119214917
N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24659936
2-[4-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbonyl)amino]oxan-4-yl]acetic acid
CID 154741565
N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24595498
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
CID 6621975
2-[4-[(1,5-dimethylpyrrole-2-carbonyl)amino]oxan-4-yl]acetic acid
CID 99578340
2-[4-(1,3-benzodioxole-5-carbonylamino)oxan-4-yl]acetic acid
CID 119215665
N-(2-hydroxy-2-phenylpropyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 111334828
2-[4-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]oxan-4-yl]acetic acid
CID 119214959

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]oxan-4-yl]acetic acid?
The IUPAC name of 2-[4-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]oxan-4-yl]acetic acid (CID 119214743) is 2-[4-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]oxan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]oxan-4-yl]acetic acid?
The canonical SMILES for 2-[4-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]oxan-4-yl]acetic acid is O=C(O)CC1(NC(=O)c2ccc(N3CCCC3=O)cc2)CCOCC1.
What is the InChIKey of 2-[4-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]oxan-4-yl]acetic acid?
The InChIKey is ZMDBKESPDKJNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c21-15-2-1-9-20(15)14-5-3-13(4-6-14)17(24)19-18(12-16(22)23)7-10-25-11-8-18/h3-6H,1-2,7-12H2,(H,19,24)(H,22,23).
What are the key properties of 2-[4-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]oxan-4-yl]acetic acid?
2-[4-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]oxan-4-yl]acetic acid has a molecular weight of 346.38 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]oxan-4-yl]acetic acid is sourced from PubChem (CID 119214743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).