cyclobutyl (2S)-2-aminopropanoate

C7H13NO2 — CID 45086620

IUPACcyclobutyl (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)OC1CCC1
InChIInChI=1S/C7H13NO2/c1-5(8)7(9)10-6-3-2-4-6/h5-6H,2-4,8H2,1H3/t5-/m0/s1
InChIKeyHEEMEYWHDTVJBL-YFKPBYRVSA-N
MW143.19 g/mol
LogP0.43
Rot. Bonds2

About cyclobutyl (2S)-2-aminopropanoate

cyclobutyl (2S)-2-aminopropanoate (PubChem CID 45086620) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is cyclobutyl (2S)-2-aminopropanoate.

Molecular Properties

Compound Namecyclobutyl (2S)-2-aminopropanoate
PubChem CID45086620
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Namecyclobutyl (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)OC1CCC1
InChIInChI=1S/C7H13NO2/c1-5(8)7(9)10-6-3-2-4-6/h5-6H,2-4,8H2,1H3/t5-/m0/s1
InChIKeyHEEMEYWHDTVJBL-YFKPBYRVSA-N
XLogP0.43
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl (2S)-2-aminopropanoate?
The IUPAC name of cyclobutyl (2S)-2-aminopropanoate (CID 45086620) is cyclobutyl (2S)-2-aminopropanoate.
What is the SMILES notation for cyclobutyl (2S)-2-aminopropanoate?
The canonical SMILES for cyclobutyl (2S)-2-aminopropanoate is C[C@H](N)C(=O)OC1CCC1.
What is the InChIKey of cyclobutyl (2S)-2-aminopropanoate?
The InChIKey is HEEMEYWHDTVJBL-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5(8)7(9)10-6-3-2-4-6/h5-6H,2-4,8H2,1H3/t5-/m0/s1.
What are the key properties of cyclobutyl (2S)-2-aminopropanoate?
cyclobutyl (2S)-2-aminopropanoate has a molecular weight of 143.19 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl (2S)-2-aminopropanoate is sourced from PubChem (CID 45086620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).