3-[(3-carbamoylpyrrolidine-1-carbonyl)amino]oxolane-3-carboxylic acid

C11H17N3O5 — CID 114082343

IUPAC3-[(3-carbamoylpyrrolidine-1-carbonyl)amino]oxolane-3-carboxylic acid
SMILESNC(=O)C1CCN(C(=O)NC2(C(=O)O)CCOC2)C1
InChIInChI=1S/C11H17N3O5/c12-8(15)7-1-3-14(5-7)10(18)13-11(9(16)17)2-4-19-6-11/h7H,1-6H2,(H2,12,15)(H,13,18)(H,16,17)
InChIKeyTVJCZUFLGJBTOB-UHFFFAOYSA-N
MW271.27 g/mol
LogP-1.25
Rot. Bonds3

About 3-[(3-carbamoylpyrrolidine-1-carbonyl)amino]oxolane-3-carboxylic acid

3-[(3-carbamoylpyrrolidine-1-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 114082343) has the molecular formula C11H17N3O5 and a molecular weight of 271.27 g/mol. Its IUPAC name is 3-[(3-carbamoylpyrrolidine-1-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(3-carbamoylpyrrolidine-1-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID114082343
Molecular FormulaC11H17N3O5
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC Name3-[(3-carbamoylpyrrolidine-1-carbonyl)amino]oxolane-3-carboxylic acid
SMILESNC(=O)C1CCN(C(=O)NC2(C(=O)O)CCOC2)C1
InChIInChI=1S/C11H17N3O5/c12-8(15)7-1-3-14(5-7)10(18)13-11(9(16)17)2-4-19-6-11/h7H,1-6H2,(H2,12,15)(H,13,18)(H,16,17)
InChIKeyTVJCZUFLGJBTOB-UHFFFAOYSA-N
XLogP-1.25
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid
CID 64893474
3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 79165623
1-[(3-carbamoylpiperidine-1-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81161145
3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid
CID 106836803
3-[(4-ethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 64892475
3-[(2-methylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 64891868
4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]oxane-4-carboxylic acid
CID 115293156
4-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]oxane-4-carboxylic acid
CID 114799059
3-[[2-(hydroxymethyl)azepane-1-carbonyl]amino]oxolane-3-carboxylic acid
CID 116635668
3-[(2,3-dimethylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 64891666
4-(3,6-dihydro-2H-pyridine-1-carbonylamino)oxane-4-carboxylic acid
CID 114411540
4-[(4-methylazepane-1-carbonyl)amino]oxane-4-carboxylic acid
CID 115293181

Frequently Asked Questions

What is the IUPAC name of 3-[(3-carbamoylpyrrolidine-1-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(3-carbamoylpyrrolidine-1-carbonyl)amino]oxolane-3-carboxylic acid (CID 114082343) is 3-[(3-carbamoylpyrrolidine-1-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(3-carbamoylpyrrolidine-1-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(3-carbamoylpyrrolidine-1-carbonyl)amino]oxolane-3-carboxylic acid is NC(=O)C1CCN(C(=O)NC2(C(=O)O)CCOC2)C1.
What is the InChIKey of 3-[(3-carbamoylpyrrolidine-1-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is TVJCZUFLGJBTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5/c12-8(15)7-1-3-14(5-7)10(18)13-11(9(16)17)2-4-19-6-11/h7H,1-6H2,(H2,12,15)(H,13,18)(H,16,17).
What are the key properties of 3-[(3-carbamoylpyrrolidine-1-carbonyl)amino]oxolane-3-carboxylic acid?
3-[(3-carbamoylpyrrolidine-1-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 271.27 g/mol, XLogP of -1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-carbamoylpyrrolidine-1-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 114082343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).