methyl 3-amino-4-methylpentanoate;hydrochloride

C7H16ClNO2 — CID 71307026

IUPACmethyl 3-amino-4-methylpentanoate;hydrochloride
SMILESCOC(=O)CC(N)C(C)C.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-5(2)6(8)4-7(9)10-3;/h5-6H,4,8H2,1-3H3;1H
InChIKeyPPXNDBYZDBBPCL-UHFFFAOYSA-N
MW181.66 g/mol
LogP0.95
Rot. Bonds3

About methyl 3-amino-4-methylpentanoate;hydrochloride

methyl 3-amino-4-methylpentanoate;hydrochloride (PubChem CID 71307026) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is methyl 3-amino-4-methylpentanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-amino-4-methylpentanoate;hydrochloride
PubChem CID71307026
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Namemethyl 3-amino-4-methylpentanoate;hydrochloride
SMILESCOC(=O)CC(N)C(C)C.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-5(2)6(8)4-7(9)10-3;/h5-6H,4,8H2,1-3H3;1H
InChIKeyPPXNDBYZDBBPCL-UHFFFAOYSA-N
XLogP0.95
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.66
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-beta-leucine
CID 439734
(3R)-beta-Leucine
CID 2761558
Leucine methyl ester hydrochloride
CID 2723695
(3S)-3-azaniumyl-4-methylpentanoate
CID 6934189
Methyl 2-amino-4-methylpentanoate hydrochloride
CID 3084016
Beta-Leucine
CID 193411
(3R)-3-azaniumyl-4-methylpentanoate
CID 6934188
D-Leucine Methyl Ester Hydrochloride
CID 11600782
(3R)-3-amino-4-methylpentanoic acid hydrochloride
CID 2761557
methyl (3R)-3-aminopentanoate hydrochloride
CID 10149028
3-Amino-4-methylpentanoic acid hydrochloride
CID 11557348
Ethyl 3-amino-4-methylpentanoate hydrochloride
CID 18321650

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-methylpentanoate;hydrochloride?
The IUPAC name of methyl 3-amino-4-methylpentanoate;hydrochloride (CID 71307026) is methyl 3-amino-4-methylpentanoate;hydrochloride.
What is the SMILES notation for methyl 3-amino-4-methylpentanoate;hydrochloride?
The canonical SMILES for methyl 3-amino-4-methylpentanoate;hydrochloride is COC(=O)CC(N)C(C)C.Cl.
What is the InChIKey of methyl 3-amino-4-methylpentanoate;hydrochloride?
The InChIKey is PPXNDBYZDBBPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-5(2)6(8)4-7(9)10-3;/h5-6H,4,8H2,1-3H3;1H.
What are the key properties of methyl 3-amino-4-methylpentanoate;hydrochloride?
methyl 3-amino-4-methylpentanoate;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-methylpentanoate;hydrochloride is sourced from PubChem (CID 71307026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).