(3R)-4,4-dimethyl-3-(methylamino)pentanoic acid;hydrochloride

C8H18ClNO2 — CID 170900105

IUPAC(3R)-4,4-dimethyl-3-(methylamino)pentanoic acid;hydrochloride
SMILESCN[C@H](CC(=O)O)C(C)(C)C.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-8(2,3)6(9-4)5-7(10)11;/h6,9H,5H2,1-4H3,(H,10,11);1H/t6-;/m1./s1
InChIKeyVOWYLKCEBOUMCF-FYZOBXCZSA-N
MW195.69 g/mol
LogP1.52
Rot. Bonds3

About (3R)-4,4-dimethyl-3-(methylamino)pentanoic acid;hydrochloride

(3R)-4,4-dimethyl-3-(methylamino)pentanoic acid;hydrochloride (PubChem CID 170900105) has the molecular formula C8H18ClNO2 and a molecular weight of 195.69 g/mol. Its IUPAC name is (3R)-4,4-dimethyl-3-(methylamino)pentanoic acid;hydrochloride.

Molecular Properties

Compound Name(3R)-4,4-dimethyl-3-(methylamino)pentanoic acid;hydrochloride
PubChem CID170900105
Molecular FormulaC8H18ClNO2
Molecular Weight195.69 g/mol
Exact Mass195.10
IUPAC Name(3R)-4,4-dimethyl-3-(methylamino)pentanoic acid;hydrochloride
SMILESCN[C@H](CC(=O)O)C(C)(C)C.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-8(2,3)6(9-4)5-7(10)11;/h6,9H,5H2,1-4H3,(H,10,11);1H/t6-;/m1./s1
InChIKeyVOWYLKCEBOUMCF-FYZOBXCZSA-N
XLogP1.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Amino-4,4-dimethylpentanoic acid
CID 2733733
(R)-3-Amino-4,4-dimethylpentanoic acid
CID 7010080
(3S)-3-amino-4,4-dimethylpentanoic acid
CID 7157340
(3R)-3-amino-4,4-dimethylpentanoic acid hydrochloride
CID 132398873
(3S)-3-amino-4,4-dimethylpentanoic acid hydrochloride
CID 137951613
(3S)-5-methyl-3-(methylamino)hexanoicacidhydrochloride
CID 167731681
(3R)-5-methyl-3-(methylamino)hexanoic acid hydrochloride
CID 167736504
(3S)-3-(Methylamino)pentanoic acid hydrochloride
CID 177699483
3-Amino-2,2,4-trimethylpentanoic acid
CID 10534966
3-Amino-2,2-dimethylpentanoic acid
CID 10630643
3-(Butylamino)pentanoic acid
CID 17802837
4,4-Dimethyl-2-(methylamino)pentanoic acid
CID 18008837

Frequently Asked Questions

What is the IUPAC name of (3R)-4,4-dimethyl-3-(methylamino)pentanoic acid;hydrochloride?
The IUPAC name of (3R)-4,4-dimethyl-3-(methylamino)pentanoic acid;hydrochloride (CID 170900105) is (3R)-4,4-dimethyl-3-(methylamino)pentanoic acid;hydrochloride.
What is the SMILES notation for (3R)-4,4-dimethyl-3-(methylamino)pentanoic acid;hydrochloride?
The canonical SMILES for (3R)-4,4-dimethyl-3-(methylamino)pentanoic acid;hydrochloride is CN[C@H](CC(=O)O)C(C)(C)C.Cl.
What is the InChIKey of (3R)-4,4-dimethyl-3-(methylamino)pentanoic acid;hydrochloride?
The InChIKey is VOWYLKCEBOUMCF-FYZOBXCZSA-N. The full InChI is InChI=1S/C8H17NO2.ClH/c1-8(2,3)6(9-4)5-7(10)11;/h6,9H,5H2,1-4H3,(H,10,11);1H/t6-;/m1./s1.
What are the key properties of (3R)-4,4-dimethyl-3-(methylamino)pentanoic acid;hydrochloride?
(3R)-4,4-dimethyl-3-(methylamino)pentanoic acid;hydrochloride has a molecular weight of 195.69 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4,4-dimethyl-3-(methylamino)pentanoic acid;hydrochloride is sourced from PubChem (CID 170900105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).