trans-(1R,2R)-2-aminocyclobutane-1-carboxylic acid;hydrochloride

C5H10ClNO2 — CID 127263592

IUPACtrans-(1R,2R)-2-aminocyclobutane-1-carboxylic acid;hydrochloride
SMILESCl.N[C@@H]1CC[C@H]1C(=O)O
InChIInChI=1S/C5H9NO2.ClH/c6-4-2-1-3(4)5(7)8;/h3-4H,1-2,6H2,(H,7,8);1H/t3-,4-;/m1./s1
InChIKeyYDUYWOJGABHCAO-VKKIDBQXSA-N
MW151.59 g/mol
LogP0.23
Rot. Bonds1

About trans-(1R,2R)-2-aminocyclobutane-1-carboxylic acid;hydrochloride

trans-(1R,2R)-2-aminocyclobutane-1-carboxylic acid;hydrochloride (PubChem CID 127263592) has the molecular formula C5H10ClNO2 and a molecular weight of 151.59 g/mol. Its IUPAC name is trans-(1R,2R)-2-aminocyclobutane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Nametrans-(1R,2R)-2-aminocyclobutane-1-carboxylic acid;hydrochloride
PubChem CID127263592
Molecular FormulaC5H10ClNO2
Molecular Weight151.59 g/mol
Exact Mass151.04
IUPAC Nametrans-(1R,2R)-2-aminocyclobutane-1-carboxylic acid;hydrochloride
SMILESCl.N[C@@H]1CC[C@H]1C(=O)O
InChIInChI=1S/C5H9NO2.ClH/c6-4-2-1-3(4)5(7)8;/h3-4H,1-2,6H2,(H,7,8);1H/t3-,4-;/m1./s1
InChIKeyYDUYWOJGABHCAO-VKKIDBQXSA-N
XLogP0.23
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.59
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-aminocyclobutane-1-carboxylic acid;hydrochloride?
The IUPAC name of trans-(1R,2R)-2-aminocyclobutane-1-carboxylic acid;hydrochloride (CID 127263592) is trans-(1R,2R)-2-aminocyclobutane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for trans-(1R,2R)-2-aminocyclobutane-1-carboxylic acid;hydrochloride?
The canonical SMILES for trans-(1R,2R)-2-aminocyclobutane-1-carboxylic acid;hydrochloride is Cl.N[C@@H]1CC[C@H]1C(=O)O.
What is the InChIKey of trans-(1R,2R)-2-aminocyclobutane-1-carboxylic acid;hydrochloride?
The InChIKey is YDUYWOJGABHCAO-VKKIDBQXSA-N. The full InChI is InChI=1S/C5H9NO2.ClH/c6-4-2-1-3(4)5(7)8;/h3-4H,1-2,6H2,(H,7,8);1H/t3-,4-;/m1./s1.
What are the key properties of trans-(1R,2R)-2-aminocyclobutane-1-carboxylic acid;hydrochloride?
trans-(1R,2R)-2-aminocyclobutane-1-carboxylic acid;hydrochloride has a molecular weight of 151.59 g/mol, XLogP of 0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-aminocyclobutane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 127263592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).