1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxylic acid

C10H15NO4 — CID 43609553

IUPAC1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(C2CCOCC2)C1
InChIInChI=1S/C10H15NO4/c12-9-5-7(10(13)14)6-11(9)8-1-3-15-4-2-8/h7-8H,1-6H2,(H,13,14)
InChIKeyZUHJEZHRBQNNKR-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.10
Rot. Bonds2

About 1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxylic acid

1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 43609553) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID43609553
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(C2CCOCC2)C1
InChIInChI=1S/C10H15NO4/c12-9-5-7(10(13)14)6-11(9)8-1-3-15-4-2-8/h7-8H,1-6H2,(H,13,14)
InChIKeyZUHJEZHRBQNNKR-UHFFFAOYSA-N
XLogP0.10
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxylic 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

1-(1-Methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 4777965
(3S,4S)-1-(oxane-4-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950361
3-[Oxan-4-yl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 126775669
3-[oxan-4-yl-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 129507817
3-[oxan-4-yl-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 129507818
1-(4-Ethoxy-1,1,1-trifluoro-4-oxobutan-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690214
1-(3-Ethoxypropyl)-5-oxopyrrolidine-3-carboxylic acid
CID 3159024
1-(3-Methoxypropyl)-5-oxopyrrolidine-3-carboxylic acid
CID 4777964
1-(3-Hydroxypropyl)-5-oxopyrrolidine-3-carboxylic acid
CID 53211732
1-(Oxan-4-yl)pyrrolidine-3-carboxylic acid
CID 63935639
3-(4-Methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid
CID 89638051
Methyl 1-(3-hydroxypropyl)-5-oxopyrrolidine-3-carboxylate
CID 89638052

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxylic acid (CID 43609553) is 1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(C2CCOCC2)C1.
What is the InChIKey of 1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is ZUHJEZHRBQNNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c12-9-5-7(10(13)14)6-11(9)8-1-3-15-4-2-8/h7-8H,1-6H2,(H,13,14).
What are the key properties of 1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxylic acid?
1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 213.23 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 43609553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).