2-amino-3-methylpentanoic acid;hydrochloride

C6H14ClNO2 — CID 13000955

IUPAC2-amino-3-methylpentanoic acid;hydrochloride
SMILESCCC(C)C(N)C(=O)O.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-3-4(2)5(7)6(8)9;/h4-5H,3,7H2,1-2H3,(H,8,9);1H
InChIKeyGBKVTQSWZCBVSL-UHFFFAOYSA-N
MW167.64 g/mol
LogP0.87
Rot. Bonds3

About 2-amino-3-methylpentanoic acid;hydrochloride

2-amino-3-methylpentanoic acid;hydrochloride (PubChem CID 13000955) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is 2-amino-3-methylpentanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methylpentanoic acid;hydrochloride
PubChem CID13000955
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Name2-amino-3-methylpentanoic acid;hydrochloride
SMILESCCC(C)C(N)C(=O)O.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-3-4(2)5(7)6(8)9;/h4-5H,3,7H2,1-2H3,(H,8,9);1H
InChIKeyGBKVTQSWZCBVSL-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

(2S,3S)-2-amino-3-(113C)methylpentanoic acid
CID 10606774
(2S,3S)-2-(15N)azanyl-3-methylpentanoic acid
CID 10678279
(2S,3R)-2-amino-3-methylpentanoic acid;hydrate
CID 162355380
2-amino-3-methylpentanoic acid;azane
CID 87185080
2-amino-3-methylpentanoic acid;manganese
CID 175109832
sodium (2S,3S)-2-amino-3-methylpentanoic acid
CID 71594993
lithium;(2S,3S)-2-amino-3-methylpentanoic acid;hydride
CID 173147542
bis((2S,3S)-2-amino-3-methylpentanoic acid);formaldehyde
CID 174851375
2-amino-3-hydroxybutanoic acid;2-amino-3-methylpentanoic acid
CID 22316344
2-amino-3-methylpentanoic acid;sulfuric acid
CID 87083473
2-aminoacetic acid;(2R)-2-amino-3-methylpentanoic acid
CID 87257190
2-aminoacetic acid;2-amino-3-methylpentanoic acid;2-aminopropanoic acid
CID 18783681

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methylpentanoic acid;hydrochloride?
The IUPAC name of 2-amino-3-methylpentanoic acid;hydrochloride (CID 13000955) is 2-amino-3-methylpentanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-3-methylpentanoic acid;hydrochloride?
The canonical SMILES for 2-amino-3-methylpentanoic acid;hydrochloride is CCC(C)C(N)C(=O)O.Cl.
What is the InChIKey of 2-amino-3-methylpentanoic acid;hydrochloride?
The InChIKey is GBKVTQSWZCBVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-3-4(2)5(7)6(8)9;/h4-5H,3,7H2,1-2H3,(H,8,9);1H.
What are the key properties of 2-amino-3-methylpentanoic acid;hydrochloride?
2-amino-3-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 2-amino-3-methylpentanoic acid;hydrochloride is sourced from PubChem (CID 13000955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).