2-bicyclo[2.2.1]heptanyl 2-amino-2-methylpropanoate

C11H19NO2 — CID 58139000

IUPAC2-bicyclo[2.2.1]heptanyl 2-amino-2-methylpropanoate
SMILESCC(C)(N)C(=O)OC1CC2CCC1C2
InChIInChI=1S/C11H19NO2/c1-11(2,12)10(13)14-9-6-7-3-4-8(9)5-7/h7-9H,3-6,12H2,1-2H3
InChIKeyIFWRYFFHOOMIHY-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.46
Rot. Bonds2

About 2-bicyclo[2.2.1]heptanyl 2-amino-2-methylpropanoate

2-bicyclo[2.2.1]heptanyl 2-amino-2-methylpropanoate (PubChem CID 58139000) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl 2-amino-2-methylpropanoate.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl 2-amino-2-methylpropanoate
PubChem CID58139000
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-bicyclo[2.2.1]heptanyl 2-amino-2-methylpropanoate
SMILESCC(C)(N)C(=O)OC1CC2CCC1C2
InChIInChI=1S/C11H19NO2/c1-11(2,12)10(13)14-9-6-7-3-4-8(9)5-7/h7-9H,3-6,12H2,1-2H3
InChIKeyIFWRYFFHOOMIHY-UHFFFAOYSA-N
XLogP1.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyloxy)-1,1-difluoro-2-oxoethanesulfonic acid
CID 59660395
2-bicyclo[2.2.1]heptanyl adamantane-1-carboxylate
CID 150221469
2-bicyclo[2.2.1]heptanyl 2-methyl-2-(trifluoromethyl)butanoate;decyl 2-methyl-2-(trifluoromethyl)butanoate
CID 91505939
[2-(2-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl] 2-methylpropanoate
CID 118910595
2-bicyclo[2.2.1]heptanyl 2-(trifluoromethyl)prop-2-enoate
CID 20768646
2-bicyclo[2.2.1]heptanyl 2,3,3,3-tetrafluoro-2-(trioxidanylsulfanyl)propanoate
CID 58881605
4-O-(2-bicyclo[2.2.1]heptanyl) 1-O-propyl butanedioate
CID 91702543
acetonitrile;2-bicyclo[2.2.1]heptanyl 2-methylprop-2-enoate
CID 157193732
2-bicyclo[2.2.1]heptanyloxymethanedithioic acid
CID 511673
4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-oxobutanoate
CID 11859572
4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]oxy]-4-oxobutanoate
CID 18389358
1-O-(2-bicyclo[2.2.1]heptanyl) 5-O-tert-butyl 2-ethyl-2,4,4-trimethylpentanedioate;1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
CID 157075945

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl 2-amino-2-methylpropanoate?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl 2-amino-2-methylpropanoate (CID 58139000) is 2-bicyclo[2.2.1]heptanyl 2-amino-2-methylpropanoate.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl 2-amino-2-methylpropanoate?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl 2-amino-2-methylpropanoate is CC(C)(N)C(=O)OC1CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl 2-amino-2-methylpropanoate?
The InChIKey is IFWRYFFHOOMIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(2,12)10(13)14-9-6-7-3-4-8(9)5-7/h7-9H,3-6,12H2,1-2H3.
What are the key properties of 2-bicyclo[2.2.1]heptanyl 2-amino-2-methylpropanoate?
2-bicyclo[2.2.1]heptanyl 2-amino-2-methylpropanoate has a molecular weight of 197.28 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl 2-amino-2-methylpropanoate is sourced from PubChem (CID 58139000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).