trans-(1S,2S)-2-aminocyclobutane-1-carboxylic acid

C5H9NO2 — CID 42611781

IUPACtrans-(1S,2S)-2-aminocyclobutane-1-carboxylic acid
SMILESN[C@H]1CC[C@@H]1C(=O)O
InChIInChI=1S/C5H9NO2/c6-4-2-1-3(4)5(7)8/h3-4H,1-2,6H2,(H,7,8)/t3-,4-/m0/s1
InChIKeyNSQMWZLLTGEDQU-IMJSIDKUSA-N
MW115.13 g/mol
LogP-0.19
Rot. Bonds1

About trans-(1S,2S)-2-aminocyclobutane-1-carboxylic acid

trans-(1S,2S)-2-aminocyclobutane-1-carboxylic acid (PubChem CID 42611781) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is trans-(1S,2S)-2-aminocyclobutane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-2-aminocyclobutane-1-carboxylic acid
PubChem CID42611781
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Nametrans-(1S,2S)-2-aminocyclobutane-1-carboxylic acid
SMILESN[C@H]1CC[C@@H]1C(=O)O
InChIInChI=1S/C5H9NO2/c6-4-2-1-3(4)5(7)8/h3-4H,1-2,6H2,(H,7,8)/t3-,4-/m0/s1
InChIKeyNSQMWZLLTGEDQU-IMJSIDKUSA-N
XLogP-0.19
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-aminocyclobutane-1-carboxylic acid?
The IUPAC name of trans-(1S,2S)-2-aminocyclobutane-1-carboxylic acid (CID 42611781) is trans-(1S,2S)-2-aminocyclobutane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2S)-2-aminocyclobutane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2S)-2-aminocyclobutane-1-carboxylic acid is N[C@H]1CC[C@@H]1C(=O)O.
What is the InChIKey of trans-(1S,2S)-2-aminocyclobutane-1-carboxylic acid?
The InChIKey is NSQMWZLLTGEDQU-IMJSIDKUSA-N. The full InChI is InChI=1S/C5H9NO2/c6-4-2-1-3(4)5(7)8/h3-4H,1-2,6H2,(H,7,8)/t3-,4-/m0/s1.
What are the key properties of trans-(1S,2S)-2-aminocyclobutane-1-carboxylic acid?
trans-(1S,2S)-2-aminocyclobutane-1-carboxylic acid has a molecular weight of 115.13 g/mol, XLogP of -0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-aminocyclobutane-1-carboxylic acid is sourced from PubChem (CID 42611781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).