(3R)-4-methyl-3-(methylamino)pentanoic acid;hydrochloride

C7H16ClNO2 — CID 87833179

IUPAC(3R)-4-methyl-3-(methylamino)pentanoic acid;hydrochloride
SMILESCN[C@H](CC(=O)O)C(C)C.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-5(2)6(8-3)4-7(9)10;/h5-6,8H,4H2,1-3H3,(H,9,10);1H/t6-;/m1./s1
InChIKeyXYTNHKGNVQYDBB-FYZOBXCZSA-N
MW181.66 g/mol
LogP1.13
Rot. Bonds4

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

(3R)-4-methyl-3-(methylamino)pentanoic acid;hydrochloride (PubChem CID 87833179) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is (3R)-4-methyl-3-(methylamino)pentanoic acid;hydrochloride.

Molecular Properties

Compound Name(3R)-4-methyl-3-(methylamino)pentanoic acid;hydrochloride
PubChem CID87833179
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Name(3R)-4-methyl-3-(methylamino)pentanoic acid;hydrochloride
SMILESCN[C@H](CC(=O)O)C(C)C.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-5(2)6(8-3)4-7(9)10;/h5-6,8H,4H2,1-3H3,(H,9,10);1H/t6-;/m1./s1
InChIKeyXYTNHKGNVQYDBB-FYZOBXCZSA-N
XLogP1.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.66
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-4-methyl-3-(methylamino)pentanoic acid
CID 90425684
3-acetamido-4-methylpentanoic acid
CID 22460001
(3R)-3-(methylamino)butanoic acid;hydrochloride
CID 146082386
3-methyl-4-(methylamino)heptanoic acid
CID 116953418
(3R)-4,4-dimethyl-3-(methylamino)pentanoic acid;hydrochloride
CID 170900105
3-(3-aminopropanoylamino)-4-methylpentanoic acid
CID 115558661
3-(dimethylaminocarbamoylamino)-4-methylpentanoic acid
CID 83019637
(3S)-3-[[(R)-tert-butylsulfinyl]amino]-4-methylpentanoic acid
CID 11031847
3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoic acid
CID 79249096
ethene;2-(methylamino)butanedioic acid
CID 174781740
(E,3S,4R,5R)-4-hydroxy-5-methyl-3-(methylamino)non-7-enoic acid
CID 155352131
(3S)-3-[[(2S)-2-[(2-acetamido-3-carboxypropanoyl)amino]-3-carboxypropanoyl]amino]-4-methylpentanoic acid
CID 155020656

Frequently Asked Questions

What is the IUPAC name of (3R)-4-methyl-3-(methylamino)pentanoic acid;hydrochloride?
The IUPAC name of (3R)-4-methyl-3-(methylamino)pentanoic acid;hydrochloride (CID 87833179) is (3R)-4-methyl-3-(methylamino)pentanoic acid;hydrochloride.
What is the SMILES notation for (3R)-4-methyl-3-(methylamino)pentanoic acid;hydrochloride?
The canonical SMILES for (3R)-4-methyl-3-(methylamino)pentanoic acid;hydrochloride is CN[C@H](CC(=O)O)C(C)C.Cl.
What is the InChIKey of (3R)-4-methyl-3-(methylamino)pentanoic acid;hydrochloride?
The InChIKey is XYTNHKGNVQYDBB-FYZOBXCZSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-5(2)6(8-3)4-7(9)10;/h5-6,8H,4H2,1-3H3,(H,9,10);1H/t6-;/m1./s1.
What are the key properties of (3R)-4-methyl-3-(methylamino)pentanoic acid;hydrochloride?
(3R)-4-methyl-3-(methylamino)pentanoic acid;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-methyl-3-(methylamino)pentanoic acid;hydrochloride is sourced from PubChem (CID 87833179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).