2-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylbutanoic acid

C13H23NO2 — CID 78948127

IUPAC2-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylbutanoic acid
SMILESCCC(C)(NCC1CC2CCC1C2)C(=O)O
InChIInChI=1S/C13H23NO2/c1-3-13(2,12(15)16)14-8-11-7-9-4-5-10(11)6-9/h9-11,14H,3-8H2,1-2H3,(H,15,16)
InChIKeyRKXBHVHVMUTKNK-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.27
Rot. Bonds5

About 2-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylbutanoic acid

2-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylbutanoic acid (PubChem CID 78948127) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylbutanoic acid.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylbutanoic acid
PubChem CID78948127
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylbutanoic acid
SMILESCCC(C)(NCC1CC2CCC1C2)C(=O)O
InChIInChI=1S/C13H23NO2/c1-3-13(2,12(15)16)14-8-11-7-9-4-5-10(11)6-9/h9-11,14H,3-8H2,1-2H3,(H,15,16)
InChIKeyRKXBHVHVMUTKNK-UHFFFAOYSA-N
XLogP2.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65299667
2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutanamide
CID 114290714
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-ethylurea
CID 27276337
2-methyl-2-(oxolan-3-ylmethylamino)butanoic acid
CID 78969295
methyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethylpropanoate
CID 79623458
2-[2-bicyclo[2.2.1]heptanylmethylcarbamoyl(methyl)amino]butanoic acid
CID 55232840
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-3-oxobutanamide
CID 98153784
3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoic acid
CID 63682304
ethyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoate
CID 55232433
2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutan-1-ol
CID 79550101
2-(2-bicyclo[2.2.1]heptanyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 103890790
2-(2-bicyclo[2.2.1]heptanylmethylamino)-N,N-diethylacetamide
CID 63683853

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylbutanoic acid?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylbutanoic acid (CID 78948127) is 2-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylbutanoic acid.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylbutanoic acid?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylbutanoic acid is CCC(C)(NCC1CC2CCC1C2)C(=O)O.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylbutanoic acid?
The InChIKey is RKXBHVHVMUTKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-3-13(2,12(15)16)14-8-11-7-9-4-5-10(11)6-9/h9-11,14H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylbutanoic acid?
2-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylbutanoic acid has a molecular weight of 225.33 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylbutanoic acid is sourced from PubChem (CID 78948127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).