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

C8H18ClNO2 — CID 138393753

IUPAC(2S)-2-(dimethylamino)-4-methylpentanoic acid;hydrochloride
SMILESCC(C)C[C@@H](C(=O)O)N(C)C.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-6(2)5-7(8(10)11)9(3)4;/h6-7H,5H2,1-4H3,(H,10,11);1H/t7-;/m0./s1
InChIKeyOPHOSBSQJLYAIO-FJXQXJEOSA-N
MW195.69 g/mol
LogP1.47
Rot. Bonds4

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

(2S)-2-(dimethylamino)-4-methylpentanoic acid;hydrochloride (PubChem CID 138393753) has the molecular formula C8H18ClNO2 and a molecular weight of 195.69 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-4-methylpentanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-4-methylpentanoic acid;hydrochloride
PubChem CID138393753
Molecular FormulaC8H18ClNO2
Molecular Weight195.69 g/mol
Exact Mass195.10
IUPAC Name(2S)-2-(dimethylamino)-4-methylpentanoic acid;hydrochloride
SMILESCC(C)C[C@@H](C(=O)O)N(C)C.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-6(2)5-7(8(10)11)9(3)4;/h6-7H,5H2,1-4H3,(H,10,11);1H/t7-;/m0./s1
InChIKeyOPHOSBSQJLYAIO-FJXQXJEOSA-N
XLogP1.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(dibromoamino)-4-methylpentanoic acid
CID 57045725
2-(dimethylamino)-3-hydroxypropanoic acid;hydrochloride
CID 87309303
(2R)-2-(dimethylamino)-3-sulfanylpropanoic acid;dihydrochloride
CID 88518958
2-[methoxycarbonyl(methyl)amino]-4-methylpentanoic acid
CID 10608215
2-(dimethylamino)-4-methyl-N-propan-2-ylpentanamide
CID 170685859
2-(dimethylamino)-10-methylundecanoic acid
CID 154202442
3-oxohexan-2-yl 2-(dimethylamino)-4-methylpentanoate
CID 177343797
2-[2-methoxyethyl(methyl)amino]-4-methylpentanoic acid
CID 18426364
(2S)-2-[bis(methoxycarbonyl)amino]-4-methylpentanoic acid
CID 174649124
(2S)-2-[hydroxy(methyl)amino]-4-methylpentanoic acid;(2S)-4-methyl-2-(methylamino)pentanoic acid
CID 87981029
4-methyl-2-[propanoyl(sulfanyl)amino]pentanoic acid
CID 87491523
(2S)-4-methyl-2-[2-methylpropanoyl(2-methylpropyl)amino]pentanoic acid
CID 54292469

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-4-methylpentanoic acid;hydrochloride?
The IUPAC name of (2S)-2-(dimethylamino)-4-methylpentanoic acid;hydrochloride (CID 138393753) is (2S)-2-(dimethylamino)-4-methylpentanoic acid;hydrochloride.
What is the SMILES notation for (2S)-2-(dimethylamino)-4-methylpentanoic acid;hydrochloride?
The canonical SMILES for (2S)-2-(dimethylamino)-4-methylpentanoic acid;hydrochloride is CC(C)C[C@@H](C(=O)O)N(C)C.Cl.
What is the InChIKey of (2S)-2-(dimethylamino)-4-methylpentanoic acid;hydrochloride?
The InChIKey is OPHOSBSQJLYAIO-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H17NO2.ClH/c1-6(2)5-7(8(10)11)9(3)4;/h6-7H,5H2,1-4H3,(H,10,11);1H/t7-;/m0./s1.
What are the key properties of (2S)-2-(dimethylamino)-4-methylpentanoic acid;hydrochloride?
(2S)-2-(dimethylamino)-4-methylpentanoic acid;hydrochloride has a molecular weight of 195.69 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-4-methylpentanoic acid;hydrochloride is sourced from PubChem (CID 138393753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).