azane;methyl 3-methylbutanoate;hydrochloride

C6H16ClNO2 — CID 175434492

IUPACazane;methyl 3-methylbutanoate;hydrochloride
SMILESCOC(=O)CC(C)C.Cl.N
InChIInChI=1S/C6H12O2.ClH.H3N/c1-5(2)4-6(7)8-3;;/h5H,4H2,1-3H3;1H;1H3
InChIKeyFVSUNPGDTUVYAQ-UHFFFAOYSA-N
MW169.65 g/mol
LogP1.79
Rot. Bonds2

About azane;methyl 3-methylbutanoate;hydrochloride

azane;methyl 3-methylbutanoate;hydrochloride (PubChem CID 175434492) has the molecular formula C6H16ClNO2 and a molecular weight of 169.65 g/mol. Its IUPAC name is azane;methyl 3-methylbutanoate;hydrochloride.

Molecular Properties

Compound Nameazane;methyl 3-methylbutanoate;hydrochloride
PubChem CID175434492
Molecular FormulaC6H16ClNO2
Molecular Weight169.65 g/mol
Exact Mass169.09
IUPAC Nameazane;methyl 3-methylbutanoate;hydrochloride
SMILESCOC(=O)CC(C)C.Cl.N
InChIInChI=1S/C6H12O2.ClH.H3N/c1-5(2)4-6(7)8-3;;/h5H,4H2,1-3H3;1H;1H3
InChIKeyFVSUNPGDTUVYAQ-UHFFFAOYSA-N
XLogP1.79
TPSA61.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.65
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-methylbutanoate;2-methylprop-2-enoic acid
CID 174979743
methyl (3S)-3-aminobutanoate;hydrochloride
CID 53487346
methyl 3,4-dimethylpentanoate
CID 554058
methyl 3-methylbutanoate;oxolane-3,4-diol
CID 157040371
bis(3-methylbutanoyloxy)boranyl 3-methylbutanoate
CID 87718355
methyl 3,3-diaminopropanoate;hydrochloride
CID 140507920
methyl (3R)-3-hydroxy-5-methylhexanoate
CID 10920813
methyl 3-(hydroxyamino)butanoate
CID 103282672
methyl (3R)-3-(phosphanylamino)butanoate
CID 59118777
(2R)-4-methoxy-2-methyl-4-oxobutanoic acid
CID 6398856
methyl (3S)-4-amino-3-methyl-4-oxobutanoate
CID 146955402
methyl 3-amino-3-hydroxypropanoate;hydrochloride
CID 87417987

Frequently Asked Questions

What is the IUPAC name of azane;methyl 3-methylbutanoate;hydrochloride?
The IUPAC name of azane;methyl 3-methylbutanoate;hydrochloride (CID 175434492) is azane;methyl 3-methylbutanoate;hydrochloride.
What is the SMILES notation for azane;methyl 3-methylbutanoate;hydrochloride?
The canonical SMILES for azane;methyl 3-methylbutanoate;hydrochloride is COC(=O)CC(C)C.Cl.N.
What is the InChIKey of azane;methyl 3-methylbutanoate;hydrochloride?
The InChIKey is FVSUNPGDTUVYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.ClH.H3N/c1-5(2)4-6(7)8-3;;/h5H,4H2,1-3H3;1H;1H3.
What are the key properties of azane;methyl 3-methylbutanoate;hydrochloride?
azane;methyl 3-methylbutanoate;hydrochloride has a molecular weight of 169.65 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;methyl 3-methylbutanoate;hydrochloride is sourced from PubChem (CID 175434492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).