(2-carboxy-2-methylbutyl)azanium chloride

C6H14ClNO2 — CID 71757336

IUPAC(2-carboxy-2-methylbutyl)azanium chloride
SMILESCCC(C)(C[NH3+])C(=O)O.[Cl-]
InChIInChI=1S/C6H13NO2.ClH/c1-3-6(2,4-7)5(8)9;/h3-4,7H2,1-2H3,(H,8,9);1H
InChIKeyRSVQEYHXXIQIPK-UHFFFAOYSA-N
MW167.64 g/mol
LogP-3.27
Rot. Bonds3

About (2-carboxy-2-methylbutyl)azanium chloride

(2-carboxy-2-methylbutyl)azanium chloride (PubChem CID 71757336) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is (2-carboxy-2-methylbutyl)azanium chloride.

Molecular Properties

Compound Name(2-carboxy-2-methylbutyl)azanium chloride
PubChem CID71757336
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Name(2-carboxy-2-methylbutyl)azanium chloride
SMILESCCC(C)(C[NH3+])C(=O)O.[Cl-]
InChIInChI=1S/C6H13NO2.ClH/c1-3-6(2,4-7)5(8)9;/h3-4,7H2,1-2H3,(H,8,9);1H
InChIKeyRSVQEYHXXIQIPK-UHFFFAOYSA-N
XLogP-3.27
TPSA64.94 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 5-3.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-carboxy-2-methylbutyl)azanium chloride?
The IUPAC name of (2-carboxy-2-methylbutyl)azanium chloride (CID 71757336) is (2-carboxy-2-methylbutyl)azanium chloride.
What is the SMILES notation for (2-carboxy-2-methylbutyl)azanium chloride?
The canonical SMILES for (2-carboxy-2-methylbutyl)azanium chloride is CCC(C)(C[NH3+])C(=O)O.[Cl-].
What is the InChIKey of (2-carboxy-2-methylbutyl)azanium chloride?
The InChIKey is RSVQEYHXXIQIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-3-6(2,4-7)5(8)9;/h3-4,7H2,1-2H3,(H,8,9);1H.
What are the key properties of (2-carboxy-2-methylbutyl)azanium chloride?
(2-carboxy-2-methylbutyl)azanium chloride has a molecular weight of 167.64 g/mol, XLogP of -3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carboxy-2-methylbutyl)azanium chloride is sourced from PubChem (CID 71757336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).