4-[2-bicyclo[2.2.1]heptanylmethylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid

C15H24N2O4 — CID 66267125

IUPAC4-[2-bicyclo[2.2.1]heptanylmethylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)NCC1CC2CCC1C2)C1COCC1C(=O)O
InChIInChI=1S/C15H24N2O4/c1-17(13-8-21-7-12(13)14(18)19)15(20)16-6-11-5-9-2-3-10(11)4-9/h9-13H,2-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyNJFVYVUKJZRUAL-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.16
Rot. Bonds4

About 4-[2-bicyclo[2.2.1]heptanylmethylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid

4-[2-bicyclo[2.2.1]heptanylmethylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid (PubChem CID 66267125) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-[2-bicyclo[2.2.1]heptanylmethylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-bicyclo[2.2.1]heptanylmethylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
PubChem CID66267125
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name4-[2-bicyclo[2.2.1]heptanylmethylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)NCC1CC2CCC1C2)C1COCC1C(=O)O
InChIInChI=1S/C15H24N2O4/c1-17(13-8-21-7-12(13)14(18)19)15(20)16-6-11-5-9-2-3-10(11)4-9/h9-13H,2-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyNJFVYVUKJZRUAL-UHFFFAOYSA-N
XLogP1.16
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]oxolane-3-carboxylic acid
CID 79558147
4-[methyl-[(4-methylcyclohexyl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66265543
4-[1,4-dioxan-2-ylmethylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266117
4-[2,2-dimethylpropylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266712
4-[2-(carbamoylamino)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 83113561
4-[3-cyclopentylpropylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 106005375
4-[methyl-[(1-methylcyclopentyl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66267710
4-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl-methylamino]oxolane-3-carboxylic acid
CID 115356702
2-[2-bicyclo[2.2.1]heptanylmethylcarbamoyl(methyl)amino]butanoic acid
CID 55232840
4-[methyl(3-methylsulfanylpropylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66265349
4-[cyclobutylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266130
4-[cyclopentylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66265694

Frequently Asked Questions

What is the IUPAC name of 4-[2-bicyclo[2.2.1]heptanylmethylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[2-bicyclo[2.2.1]heptanylmethylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid (CID 66267125) is 4-[2-bicyclo[2.2.1]heptanylmethylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[2-bicyclo[2.2.1]heptanylmethylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[2-bicyclo[2.2.1]heptanylmethylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid is CN(C(=O)NCC1CC2CCC1C2)C1COCC1C(=O)O.
What is the InChIKey of 4-[2-bicyclo[2.2.1]heptanylmethylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid?
The InChIKey is NJFVYVUKJZRUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-17(13-8-21-7-12(13)14(18)19)15(20)16-6-11-5-9-2-3-10(11)4-9/h9-13H,2-8H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 4-[2-bicyclo[2.2.1]heptanylmethylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid?
4-[2-bicyclo[2.2.1]heptanylmethylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-bicyclo[2.2.1]heptanylmethylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66267125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).