(2S)-2-(2-aminoethyl)-4-methylpentanoic acid;hydrochloride

C8H18ClNO2 — CID 120999853

IUPAC(2S)-2-(2-aminoethyl)-4-methylpentanoic acid;hydrochloride
SMILESCC(C)C[C@@H](CCN)C(=O)O.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-6(2)5-7(3-4-9)8(10)11;/h6-7H,3-5,9H2,1-2H3,(H,10,11);1H/t7-;/m1./s1
InChIKeyHXIDIWFZNJQWPB-OGFXRTJISA-N
MW195.69 g/mol
LogP1.50
Rot. Bonds5

About (2S)-2-(2-aminoethyl)-4-methylpentanoic acid;hydrochloride

(2S)-2-(2-aminoethyl)-4-methylpentanoic acid;hydrochloride (PubChem CID 120999853) has the molecular formula C8H18ClNO2 and a molecular weight of 195.69 g/mol. Its IUPAC name is (2S)-2-(2-aminoethyl)-4-methylpentanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(2-aminoethyl)-4-methylpentanoic acid;hydrochloride
PubChem CID120999853
Molecular FormulaC8H18ClNO2
Molecular Weight195.69 g/mol
Exact Mass195.10
IUPAC Name(2S)-2-(2-aminoethyl)-4-methylpentanoic acid;hydrochloride
SMILESCC(C)C[C@@H](CCN)C(=O)O.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-6(2)5-7(3-4-9)8(10)11;/h6-7H,3-5,9H2,1-2H3,(H,10,11);1H/t7-;/m1./s1
InChIKeyHXIDIWFZNJQWPB-OGFXRTJISA-N
XLogP1.50
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminoethyl)-4-hydroxypentanoic acid
CID 104680935
alumane;4-methyl-2-(2-methylpropyl)pentanoic acid
CID 173457515
5-amino-5-methyl-2-(2-methylpropyl)hexanoic acid
CID 147314625
(2R)-2-(fluoromethyl)-4-methylpentanoic acid
CID 129304901
4-amino-2-(fluoromethyl)butanoic acid
CID 83815073
4-amino-2-methylbutanoic acid
CID 3759025
6-(2-methylpropoxy)-2-(2-methylpropyl)-6-oxohexanoic acid
CID 175272434
(2R)-2-(2-methylpropyl)-4-oxopentanoic acid
CID 59074115
2-(2-aminoethyl)-N-cyclopentyl-4-methylpentanamide
CID 112515388
4-amino-2-(3-methylbutan-2-ylsulfanyl)butanoic acid
CID 107767377
4-amino-2-(ethoxymethyl)butanoic acid
CID 104680964
2-(2-aminoethyl)nonanoic acid
CID 104680899

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-aminoethyl)-4-methylpentanoic acid;hydrochloride?
The IUPAC name of (2S)-2-(2-aminoethyl)-4-methylpentanoic acid;hydrochloride (CID 120999853) is (2S)-2-(2-aminoethyl)-4-methylpentanoic acid;hydrochloride.
What is the SMILES notation for (2S)-2-(2-aminoethyl)-4-methylpentanoic acid;hydrochloride?
The canonical SMILES for (2S)-2-(2-aminoethyl)-4-methylpentanoic acid;hydrochloride is CC(C)C[C@@H](CCN)C(=O)O.Cl.
What is the InChIKey of (2S)-2-(2-aminoethyl)-4-methylpentanoic acid;hydrochloride?
The InChIKey is HXIDIWFZNJQWPB-OGFXRTJISA-N. The full InChI is InChI=1S/C8H17NO2.ClH/c1-6(2)5-7(3-4-9)8(10)11;/h6-7H,3-5,9H2,1-2H3,(H,10,11);1H/t7-;/m1./s1.
What are the key properties of (2S)-2-(2-aminoethyl)-4-methylpentanoic acid;hydrochloride?
(2S)-2-(2-aminoethyl)-4-methylpentanoic acid;hydrochloride has a molecular weight of 195.69 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-aminoethyl)-4-methylpentanoic acid;hydrochloride is sourced from PubChem (CID 120999853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).