(2R)-2-amino-2-(3,3-difluorocyclobutyl)acetic acid;hydrochloride

C6H10ClF2NO2 — CID 135392975

IUPAC(2R)-2-amino-2-(3,3-difluorocyclobutyl)acetic acid;hydrochloride
SMILESCl.N[C@@H](C(=O)O)C1CC(F)(F)C1
InChIInChI=1S/C6H9F2NO2.ClH/c7-6(8)1-3(2-6)4(9)5(10)11;/h3-4H,1-2,9H2,(H,10,11);1H/t4-;/m1./s1
InChIKeyWQEJKUPAXINKOO-PGMHMLKASA-N
MW201.60 g/mol
LogP0.87
Rot. Bonds2

About (2R)-2-amino-2-(3,3-difluorocyclobutyl)acetic acid;hydrochloride

(2R)-2-amino-2-(3,3-difluorocyclobutyl)acetic acid;hydrochloride (PubChem CID 135392975) has the molecular formula C6H10ClF2NO2 and a molecular weight of 201.60 g/mol. Its IUPAC name is (2R)-2-amino-2-(3,3-difluorocyclobutyl)acetic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-2-(3,3-difluorocyclobutyl)acetic acid;hydrochloride
PubChem CID135392975
Molecular FormulaC6H10ClF2NO2
Molecular Weight201.60 g/mol
Exact Mass201.04
IUPAC Name(2R)-2-amino-2-(3,3-difluorocyclobutyl)acetic acid;hydrochloride
SMILESCl.N[C@@H](C(=O)O)C1CC(F)(F)C1
InChIInChI=1S/C6H9F2NO2.ClH/c7-6(8)1-3(2-6)4(9)5(10)11;/h3-4H,1-2,9H2,(H,10,11);1H/t4-;/m1./s1
InChIKeyWQEJKUPAXINKOO-PGMHMLKASA-N
XLogP0.87
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.60
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(3,3-difluorocyclobutyl)acetic acid;hydrochloride?
The IUPAC name of (2R)-2-amino-2-(3,3-difluorocyclobutyl)acetic acid;hydrochloride (CID 135392975) is (2R)-2-amino-2-(3,3-difluorocyclobutyl)acetic acid;hydrochloride.
What is the SMILES notation for (2R)-2-amino-2-(3,3-difluorocyclobutyl)acetic acid;hydrochloride?
The canonical SMILES for (2R)-2-amino-2-(3,3-difluorocyclobutyl)acetic acid;hydrochloride is Cl.N[C@@H](C(=O)O)C1CC(F)(F)C1.
What is the InChIKey of (2R)-2-amino-2-(3,3-difluorocyclobutyl)acetic acid;hydrochloride?
The InChIKey is WQEJKUPAXINKOO-PGMHMLKASA-N. The full InChI is InChI=1S/C6H9F2NO2.ClH/c7-6(8)1-3(2-6)4(9)5(10)11;/h3-4H,1-2,9H2,(H,10,11);1H/t4-;/m1./s1.
What are the key properties of (2R)-2-amino-2-(3,3-difluorocyclobutyl)acetic acid;hydrochloride?
(2R)-2-amino-2-(3,3-difluorocyclobutyl)acetic acid;hydrochloride has a molecular weight of 201.60 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(3,3-difluorocyclobutyl)acetic acid;hydrochloride is sourced from PubChem (CID 135392975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).