3-amino-3-cyclopropyl-2,2-dimethylpropanoic acid

C8H15NO2 — CID 55291796

IUPAC3-amino-3-cyclopropyl-2,2-dimethylpropanoic acid
SMILESCC(C)(C(=O)O)C(N)C1CC1
InChIInChI=1S/C8H15NO2/c1-8(2,7(10)11)6(9)5-3-4-5/h5-6H,3-4,9H2,1-2H3,(H,10,11)
InChIKeyWTSMQDGZFPWJOU-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.83
Rot. Bonds3

About 3-amino-3-cyclopropyl-2,2-dimethylpropanoic acid

3-amino-3-cyclopropyl-2,2-dimethylpropanoic acid (PubChem CID 55291796) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-2,2-dimethylpropanoic acid
PubChem CID55291796
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-amino-3-cyclopropyl-2,2-dimethylpropanoic acid
SMILESCC(C)(C(=O)O)C(N)C1CC1
InChIInChI=1S/C8H15NO2/c1-8(2,7(10)11)6(9)5-3-4-5/h5-6H,3-4,9H2,1-2H3,(H,10,11)
InChIKeyWTSMQDGZFPWJOU-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropyl-2,2-dimethylpropanoic acid?
The IUPAC name of 3-amino-3-cyclopropyl-2,2-dimethylpropanoic acid (CID 55291796) is 3-amino-3-cyclopropyl-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-amino-3-cyclopropyl-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-amino-3-cyclopropyl-2,2-dimethylpropanoic acid is CC(C)(C(=O)O)C(N)C1CC1.
What is the InChIKey of 3-amino-3-cyclopropyl-2,2-dimethylpropanoic acid?
The InChIKey is WTSMQDGZFPWJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-8(2,7(10)11)6(9)5-3-4-5/h5-6H,3-4,9H2,1-2H3,(H,10,11).
What are the key properties of 3-amino-3-cyclopropyl-2,2-dimethylpropanoic acid?
3-amino-3-cyclopropyl-2,2-dimethylpropanoic acid has a molecular weight of 157.21 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopropyl-2,2-dimethylpropanoic acid is sourced from PubChem (CID 55291796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).