cyclobuten-1-yl (2S)-2-aminopropanoate

C7H11NO2 — CID 174978794

IUPACcyclobuten-1-yl (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)OC1=CCC1
InChIInChI=1S/C7H11NO2/c1-5(8)7(9)10-6-3-2-4-6/h3,5H,2,4,8H2,1H3/t5-/m0/s1
InChIKeyRJPYFNZYMSMLOW-YFKPBYRVSA-N
MW141.17 g/mol
LogP0.55
Rot. Bonds2

About cyclobuten-1-yl (2S)-2-aminopropanoate

cyclobuten-1-yl (2S)-2-aminopropanoate (PubChem CID 174978794) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is cyclobuten-1-yl (2S)-2-aminopropanoate.

Molecular Properties

Compound Namecyclobuten-1-yl (2S)-2-aminopropanoate
PubChem CID174978794
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Namecyclobuten-1-yl (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)OC1=CCC1
InChIInChI=1S/C7H11NO2/c1-5(8)7(9)10-6-3-2-4-6/h3,5H,2,4,8H2,1H3/t5-/m0/s1
InChIKeyRJPYFNZYMSMLOW-YFKPBYRVSA-N
XLogP0.55
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclobuten-1-yl (2S)-2-aminopropanoate?
The IUPAC name of cyclobuten-1-yl (2S)-2-aminopropanoate (CID 174978794) is cyclobuten-1-yl (2S)-2-aminopropanoate.
What is the SMILES notation for cyclobuten-1-yl (2S)-2-aminopropanoate?
The canonical SMILES for cyclobuten-1-yl (2S)-2-aminopropanoate is C[C@H](N)C(=O)OC1=CCC1.
What is the InChIKey of cyclobuten-1-yl (2S)-2-aminopropanoate?
The InChIKey is RJPYFNZYMSMLOW-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5(8)7(9)10-6-3-2-4-6/h3,5H,2,4,8H2,1H3/t5-/m0/s1.
What are the key properties of cyclobuten-1-yl (2S)-2-aminopropanoate?
cyclobuten-1-yl (2S)-2-aminopropanoate has a molecular weight of 141.17 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobuten-1-yl (2S)-2-aminopropanoate is sourced from PubChem (CID 174978794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).