3-amino-4-methylpentanoic acid;hydrochloride

C6H14ClNO2 — CID 11557348

IUPAC3-amino-4-methylpentanoic acid;hydrochloride
SMILESCC(C)C(N)CC(=O)O.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-4(2)5(7)3-6(8)9;/h4-5H,3,7H2,1-2H3,(H,8,9);1H
InChIKeySLNFFBWDHRKWCB-UHFFFAOYSA-N
MW167.64 g/mol
LogP0.87
Rot. Bonds3

About 3-amino-4-methylpentanoic acid;hydrochloride

3-amino-4-methylpentanoic acid;hydrochloride (PubChem CID 11557348) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is 3-amino-4-methylpentanoic acid;hydrochloride.

Molecular Properties

Compound Name3-amino-4-methylpentanoic acid;hydrochloride
PubChem CID11557348
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Name3-amino-4-methylpentanoic acid;hydrochloride
SMILESCC(C)C(N)CC(=O)O.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-4(2)5(7)3-6(8)9;/h4-5H,3,7H2,1-2H3,(H,8,9);1H
InChIKeySLNFFBWDHRKWCB-UHFFFAOYSA-N
XLogP0.87
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

L-Leucine
CID 6106
D-Leucine
CID 439524
DL-leucine
CID 857
(3S)-beta-leucine
CID 439734
(3R)-beta-Leucine
CID 2761558
(3R,4S)-3-amino-4-methylhexanoic acid
CID 16211048
L-leucinium
CID 5460900
(3S)-3-azaniumyl-4-methylpentanoate
CID 6934189
(S)-3-Amino-5-methyl-hexanoic acid
CID 2761525
Beta-Leucine
CID 193411
3-Aminopentanoic acid
CID 14731978
(3R)-3-azaniumyl-4-methylpentanoate
CID 6934188

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methylpentanoic acid;hydrochloride?
The IUPAC name of 3-amino-4-methylpentanoic acid;hydrochloride (CID 11557348) is 3-amino-4-methylpentanoic acid;hydrochloride.
What is the SMILES notation for 3-amino-4-methylpentanoic acid;hydrochloride?
The canonical SMILES for 3-amino-4-methylpentanoic acid;hydrochloride is CC(C)C(N)CC(=O)O.Cl.
What is the InChIKey of 3-amino-4-methylpentanoic acid;hydrochloride?
The InChIKey is SLNFFBWDHRKWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-4(2)5(7)3-6(8)9;/h4-5H,3,7H2,1-2H3,(H,8,9);1H.
What are the key properties of 3-amino-4-methylpentanoic acid;hydrochloride?
3-amino-4-methylpentanoic acid;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methylpentanoic acid;hydrochloride is sourced from PubChem (CID 11557348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).