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

C14H23NO3 — CID 79558147

IUPAC4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]oxolane-3-carboxylic acid
SMILESCN(CC1CC2CCC1C2)C1COCC1C(=O)O
InChIInChI=1S/C14H23NO3/c1-15(13-8-18-7-12(13)14(16)17)6-11-5-9-2-3-10(11)4-9/h9-13H,2-8H2,1H3,(H,16,17)
InChIKeyXJJFXNUVXWDGGC-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.45
Rot. Bonds4

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

4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]oxolane-3-carboxylic acid (PubChem CID 79558147) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]oxolane-3-carboxylic acid
PubChem CID79558147
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]oxolane-3-carboxylic acid
SMILESCN(CC1CC2CCC1C2)C1COCC1C(=O)O
InChIInChI=1S/C14H23NO3/c1-15(13-8-18-7-12(13)14(16)17)6-11-5-9-2-3-10(11)4-9/h9-13H,2-8H2,1H3,(H,16,17)
InChIKeyXJJFXNUVXWDGGC-UHFFFAOYSA-N
XLogP1.45
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-bicyclo[2.2.1]heptanylmethylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66267125
4-[methyl(oxolan-3-ylmethyl)amino]oxolane-3-carboxylic acid
CID 66238015
4-[methyl-[(4-methylcyclohexyl)methyl]amino]oxolane-3-carboxylic acid
CID 66266491
trans-(1R,2R)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclopentan-1-ol
CID 102734752
4-[(4-tert-butylcyclohexyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 104576053
4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid
CID 66267848
4-[(1-hydroxycyclopentyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66237204
4-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]oxolane-3-carboxylic acid
CID 102899237
4-[(5-ethylthiophen-2-yl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66237650
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-oxopropanoic acid
CID 63685758
4-[3-chloroprop-2-enyl(methyl)amino]oxolane-3-carboxylic acid
CID 77135519
4-[3,4-dihydro-2H-chromen-4-ylmethyl(methyl)amino]oxolane-3-carboxylic acid
CID 104768941

Frequently Asked Questions

What is the IUPAC name of 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]oxolane-3-carboxylic acid (CID 79558147) is 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]oxolane-3-carboxylic acid is CN(CC1CC2CCC1C2)C1COCC1C(=O)O.
What is the InChIKey of 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]oxolane-3-carboxylic acid?
The InChIKey is XJJFXNUVXWDGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-15(13-8-18-7-12(13)14(16)17)6-11-5-9-2-3-10(11)4-9/h9-13H,2-8H2,1H3,(H,16,17).
What are the key properties of 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]oxolane-3-carboxylic acid?
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]oxolane-3-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 79558147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).