4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]oxane-4-carboxylic acid

C13H23N3O4 — CID 115293156

IUPAC4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]oxane-4-carboxylic acid
SMILESCN(C)C1CCN(C(=O)NC2(C(=O)O)CCOCC2)C1
InChIInChI=1S/C13H23N3O4/c1-15(2)10-3-6-16(9-10)12(19)14-13(11(17)18)4-7-20-8-5-13/h10H,3-9H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyRUCPUSLNVJIIIL-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.03
Rot. Bonds3

About 4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]oxane-4-carboxylic acid

4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]oxane-4-carboxylic acid (PubChem CID 115293156) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]oxane-4-carboxylic acid
PubChem CID115293156
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]oxane-4-carboxylic acid
SMILESCN(C)C1CCN(C(=O)NC2(C(=O)O)CCOCC2)C1
InChIInChI=1S/C13H23N3O4/c1-15(2)10-3-6-16(9-10)12(19)14-13(11(17)18)4-7-20-8-5-13/h10H,3-9H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyRUCPUSLNVJIIIL-UHFFFAOYSA-N
XLogP-0.03
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]oxane-4-carboxylic acid
CID 114799059
4-[(4-methylazepane-1-carbonyl)amino]oxane-4-carboxylic acid
CID 115293181
4-[(3-ethylpiperidine-1-carbonyl)amino]oxane-4-carboxylic acid
CID 115292892
4-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid
CID 115293203
4-(3,6-dihydro-2H-pyridine-1-carbonylamino)oxane-4-carboxylic acid
CID 114411540
3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 79165623
4-methyl-1-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid
CID 61186956
3-[(3-carbamoylpyrrolidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 114082343
1-(morpholine-4-carbonylamino)cyclopropane-1-carboxylic acid
CID 65451097
4-[[cyclopropyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid
CID 115292842
1-[(3-methylpyrrolidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 61225245
3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid
CID 106836803

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]oxane-4-carboxylic acid?
The IUPAC name of 4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]oxane-4-carboxylic acid (CID 115293156) is 4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]oxane-4-carboxylic acid is CN(C)C1CCN(C(=O)NC2(C(=O)O)CCOCC2)C1.
What is the InChIKey of 4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]oxane-4-carboxylic acid?
The InChIKey is RUCPUSLNVJIIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-15(2)10-3-6-16(9-10)12(19)14-13(11(17)18)4-7-20-8-5-13/h10H,3-9H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]oxane-4-carboxylic acid?
4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]oxane-4-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]oxane-4-carboxylic acid is sourced from PubChem (CID 115293156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).