3-amino-2-cyclobutyl-2-methylpropanoic acid

C8H15NO2 — CID 106487162

IUPAC3-amino-2-cyclobutyl-2-methylpropanoic acid
SMILESCC(CN)(C(=O)O)C1CCC1
InChIInChI=1S/C8H15NO2/c1-8(5-9,7(10)11)6-3-2-4-6/h6H,2-5,9H2,1H3,(H,10,11)
InChIKeyNDCCRSHHWNOUNX-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.84
Rot. Bonds3

About 3-amino-2-cyclobutyl-2-methylpropanoic acid

3-amino-2-cyclobutyl-2-methylpropanoic acid (PubChem CID 106487162) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-amino-2-cyclobutyl-2-methylpropanoic acid.

Molecular Properties

Compound Name3-amino-2-cyclobutyl-2-methylpropanoic acid
PubChem CID106487162
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-amino-2-cyclobutyl-2-methylpropanoic acid
SMILESCC(CN)(C(=O)O)C1CCC1
InChIInChI=1S/C8H15NO2/c1-8(5-9,7(10)11)6-3-2-4-6/h6H,2-5,9H2,1H3,(H,10,11)
InChIKeyNDCCRSHHWNOUNX-UHFFFAOYSA-N
XLogP0.84
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-aminooxy-2-cyclopentyl-2-methylpropanoic acid
CID 105442610
3-amino-2-cyclobutyl-2-cyclopropylpropanoic acid
CID 106489641
2-cyclopropyl-3-hydroxy-2-methylpropanoic acid
CID 126974927
2-cyclopentyl-2-methyldecanoic acid
CID 175087816
2-(aminomethyl)-2-cycloheptylpentanoic acid
CID 106488140
2-cyclopropyl-4-hydroxy-2-methylbutanoic acid
CID 83153767
2-cyclopropyl-4,4,4-trifluoro-2-methylbutanoic acid
CID 83154949
3-cyclobutyl-3-hydroxy-2,2-dimethylbutanoic acid
CID 105442128
(2S)-2-amino-2-cyclopentylpropanoic acid;hydrochloride
CID 66824792
2-(aminomethyl)-2-cyclopentyl-3-fluorobutanoic acid
CID 105455433
(2R)-1-amino-2-cyclopentylpropan-2-ol
CID 94524784
3-cyclobutyl-3-fluoro-2,2-dimethylbutanoic acid
CID 105443208

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cyclobutyl-2-methylpropanoic acid?
The IUPAC name of 3-amino-2-cyclobutyl-2-methylpropanoic acid (CID 106487162) is 3-amino-2-cyclobutyl-2-methylpropanoic acid.
What is the SMILES notation for 3-amino-2-cyclobutyl-2-methylpropanoic acid?
The canonical SMILES for 3-amino-2-cyclobutyl-2-methylpropanoic acid is CC(CN)(C(=O)O)C1CCC1.
What is the InChIKey of 3-amino-2-cyclobutyl-2-methylpropanoic acid?
The InChIKey is NDCCRSHHWNOUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-8(5-9,7(10)11)6-3-2-4-6/h6H,2-5,9H2,1H3,(H,10,11).
What are the key properties of 3-amino-2-cyclobutyl-2-methylpropanoic acid?
3-amino-2-cyclobutyl-2-methylpropanoic acid has a molecular weight of 157.21 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-cyclobutyl-2-methylpropanoic acid is sourced from PubChem (CID 106487162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).