(2S)-4-methyl-2-(methylamino)pentanoic acid;hydrochloride

C7H16ClNO2 — CID 2777992

IUPAC(2S)-4-methyl-2-(methylamino)pentanoic acid;hydrochloride
SMILESCN[C@@H](CC(C)C)C(=O)O.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-5(2)4-6(8-3)7(9)10;/h5-6,8H,4H2,1-3H3,(H,9,10);1H/t6-;/m0./s1
InChIKeyQYFWCUVWMMTENJ-RGMNGODLSA-N
MW181.66 g/mol
LogP1.13
Rot. Bonds4

About (2S)-4-methyl-2-(methylamino)pentanoic acid;hydrochloride

(2S)-4-methyl-2-(methylamino)pentanoic acid;hydrochloride (PubChem CID 2777992) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is (2S)-4-methyl-2-(methylamino)pentanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-4-methyl-2-(methylamino)pentanoic acid;hydrochloride
PubChem CID2777992
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Name(2S)-4-methyl-2-(methylamino)pentanoic acid;hydrochloride
SMILESCN[C@@H](CC(C)C)C(=O)O.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-5(2)4-6(8-3)7(9)10;/h5-6,8H,4H2,1-3H3,(H,9,10);1H/t6-;/m0./s1
InChIKeyQYFWCUVWMMTENJ-RGMNGODLSA-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

N-Acetyl-L-leucine
CID 70912
acetyl-DL-leucine
CID 1995
N-Acetyl-D-leucine
CID 1241420
N-Methyl-L-valine
CID 444080
4-Methyl-2-ureido-pentanoic acid
CID 458590
(2S)-2-(dimethylamino)-4-methylpentanoic acid
CID 11658330
4-Methylproline
CID 352051
N-Methylleucine
CID 2777993
3-Methyl-2-(methylamino)pentanoic acid
CID 560437
(2S)-2-(carbamoylamino)-4-methylpentanoic acid
CID 832265
N-Formylleucine
CID 9880216
N-Methylleucine, D-
CID 6951123

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-(methylamino)pentanoic acid;hydrochloride?
The IUPAC name of (2S)-4-methyl-2-(methylamino)pentanoic acid;hydrochloride (CID 2777992) is (2S)-4-methyl-2-(methylamino)pentanoic acid;hydrochloride.
What is the SMILES notation for (2S)-4-methyl-2-(methylamino)pentanoic acid;hydrochloride?
The canonical SMILES for (2S)-4-methyl-2-(methylamino)pentanoic acid;hydrochloride is CN[C@@H](CC(C)C)C(=O)O.Cl.
What is the InChIKey of (2S)-4-methyl-2-(methylamino)pentanoic acid;hydrochloride?
The InChIKey is QYFWCUVWMMTENJ-RGMNGODLSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-5(2)4-6(8-3)7(9)10;/h5-6,8H,4H2,1-3H3,(H,9,10);1H/t6-;/m0./s1.
What are the key properties of (2S)-4-methyl-2-(methylamino)pentanoic acid;hydrochloride?
(2S)-4-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 (2S)-4-methyl-2-(methylamino)pentanoic acid;hydrochloride is sourced from PubChem (CID 2777992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).