3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]oxolane-3-carboxylic acid

C14H23N3O4 — CID 79165623

IUPAC3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCN1C2CCC1CN(C(=O)NC1(C(=O)O)CCOC1)CC2
InChIInChI=1S/C14H23N3O4/c1-16-10-2-3-11(16)8-17(6-4-10)13(20)15-14(12(18)19)5-7-21-9-14/h10-11H,2-9H2,1H3,(H,15,20)(H,18,19)
InChIKeyULRZMHMLDUABPI-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.11
Rot. Bonds2

About 3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]oxolane-3-carboxylic acid

3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 79165623) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID79165623
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCN1C2CCC1CN(C(=O)NC1(C(=O)O)CCOC1)CC2
InChIInChI=1S/C14H23N3O4/c1-16-10-2-3-11(16)8-17(6-4-10)13(20)15-14(12(18)19)5-7-21-9-14/h10-11H,2-9H2,1H3,(H,15,20)(H,18,19)
InChIKeyULRZMHMLDUABPI-UHFFFAOYSA-N
XLogP0.11
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]oxolane-3-carboxylic acid with MolForge

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Related Compounds

3-[(3-carbamoylpyrrolidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 114082343
3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid
CID 106836803
3-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid
CID 64893474
3-[(4-ethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 64892475
4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]oxane-4-carboxylic acid
CID 115293156
1-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81162430
(4-aminooxan-4-yl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 115295111
4-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]oxane-4-carboxylic acid
CID 114799059
3-[(2-methylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 64891868
3-[(2,3-dimethylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 64891666
9-methyl-N-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 115667395
3-[(3-methylmorpholine-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 64891042

Frequently Asked Questions

What is the IUPAC name of 3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]oxolane-3-carboxylic acid (CID 79165623) is 3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]oxolane-3-carboxylic acid is CN1C2CCC1CN(C(=O)NC1(C(=O)O)CCOC1)CC2.
What is the InChIKey of 3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is ULRZMHMLDUABPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-16-10-2-3-11(16)8-17(6-4-10)13(20)15-14(12(18)19)5-7-21-9-14/h10-11H,2-9H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]oxolane-3-carboxylic acid?
3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 297.36 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 79165623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).