(2R,3S)-3-methyl-2-(methylamino)pentanoic acid;hydrochloride

C7H16ClNO2 — CID 122173693

IUPAC(2R,3S)-3-methyl-2-(methylamino)pentanoic acid;hydrochloride
SMILESCC[C@H](C)[C@@H](NC)C(=O)O.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-4-5(2)6(8-3)7(9)10;/h5-6,8H,4H2,1-3H3,(H,9,10);1H/t5-,6+;/m0./s1
InChIKeyMMBGZHHBWVCZFK-RIHPBJNCSA-N
MW181.66 g/mol
LogP1.13
Rot. Bonds4

About (2R,3S)-3-methyl-2-(methylamino)pentanoic acid;hydrochloride

(2R,3S)-3-methyl-2-(methylamino)pentanoic acid;hydrochloride (PubChem CID 122173693) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is (2R,3S)-3-methyl-2-(methylamino)pentanoic acid;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-3-methyl-2-(methylamino)pentanoic acid;hydrochloride
PubChem CID122173693
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Name(2R,3S)-3-methyl-2-(methylamino)pentanoic acid;hydrochloride
SMILESCC[C@H](C)[C@@H](NC)C(=O)O.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-4-5(2)6(8-3)7(9)10;/h5-6,8H,4H2,1-3H3,(H,9,10);1H/t5-,6+;/m0./s1
InChIKeyMMBGZHHBWVCZFK-RIHPBJNCSA-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

2-(carboxyamino)-3-methylpentanoic acid
CID 19101858
(2S)-4-amino-2-(ethylamino)-4-oxobutanoic acid;(2S,3S)-3-methyl-2-(methylamino)pentanoic acid
CID 158615709
(2S,3S)-3-methyl-2-(propylamino)pentanoic acid
CID 140981705
2-(1-carboxyethylamino)-3-methylpentanoic acid
CID 155253575
(2S,3S)-3-methyl-2-(2-methylpropanoylamino)pentanoic acid
CID 30050139
2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61196445
(2S,3S)-2-(2-acetylhydrazinyl)-3-methylpentanoic acid
CID 151986208
(2S,3S)-2-(2-aminoethylamino)-3-methylpentanoic acid
CID 71365518
3-methyl-2-[(2,2,2-trichloroacetyl)amino]pentanoic acid
CID 21402667
(2S)-2-(2-ethylbutanoylamino)-3-methylpentanoic acid
CID 61173595
(2S)-3-methyl-2-(methylamino)butanoic acid
CID 161459292
3-methyl-2-(methylamino)butanoic acid
CID 4378

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-methyl-2-(methylamino)pentanoic acid;hydrochloride?
The IUPAC name of (2R,3S)-3-methyl-2-(methylamino)pentanoic acid;hydrochloride (CID 122173693) is (2R,3S)-3-methyl-2-(methylamino)pentanoic acid;hydrochloride.
What is the SMILES notation for (2R,3S)-3-methyl-2-(methylamino)pentanoic acid;hydrochloride?
The canonical SMILES for (2R,3S)-3-methyl-2-(methylamino)pentanoic acid;hydrochloride is CC[C@H](C)[C@@H](NC)C(=O)O.Cl.
What is the InChIKey of (2R,3S)-3-methyl-2-(methylamino)pentanoic acid;hydrochloride?
The InChIKey is MMBGZHHBWVCZFK-RIHPBJNCSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-4-5(2)6(8-3)7(9)10;/h5-6,8H,4H2,1-3H3,(H,9,10);1H/t5-,6+;/m0./s1.
What are the key properties of (2R,3S)-3-methyl-2-(methylamino)pentanoic acid;hydrochloride?
(2R,3S)-3-methyl-2-(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 (2R,3S)-3-methyl-2-(methylamino)pentanoic acid;hydrochloride is sourced from PubChem (CID 122173693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).