methyl (2S)-4-methyl-2-(methylamino)pentanoate;hydrochloride

C8H18ClNO2 — CID 75487996

IUPACmethyl (2S)-4-methyl-2-(methylamino)pentanoate;hydrochloride
SMILESCN[C@@H](CC(C)C)C(=O)OC.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-6(2)5-7(9-3)8(10)11-4;/h6-7,9H,5H2,1-4H3;1H/t7-;/m0./s1
InChIKeyVKYPGIMVFQAVJF-FJXQXJEOSA-N
MW195.69 g/mol
LogP1.22
Rot. Bonds4

About methyl (2S)-4-methyl-2-(methylamino)pentanoate;hydrochloride

methyl (2S)-4-methyl-2-(methylamino)pentanoate;hydrochloride (PubChem CID 75487996) has the molecular formula C8H18ClNO2 and a molecular weight of 195.69 g/mol. Its IUPAC name is methyl (2S)-4-methyl-2-(methylamino)pentanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-4-methyl-2-(methylamino)pentanoate;hydrochloride
PubChem CID75487996
Molecular FormulaC8H18ClNO2
Molecular Weight195.69 g/mol
Exact Mass195.10
IUPAC Namemethyl (2S)-4-methyl-2-(methylamino)pentanoate;hydrochloride
SMILESCN[C@@H](CC(C)C)C(=O)OC.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-6(2)5-7(9-3)8(10)11-4;/h6-7,9H,5H2,1-4H3;1H/t7-;/m0./s1
InChIKeyVKYPGIMVFQAVJF-FJXQXJEOSA-N
XLogP1.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-4-methyl-2-(2-methylhydrazinyl)pentanoate
CID 166823747
methyl (2R)-2-(chloroamino)-4-methylpentanoate
CID 59125779
methyl 4-methyl-2-(propan-2-ylamino)pentanoate
CID 43230583
methyl (2S,4S)-5,5-dichloro-4-methyl-2-(methylamino)pentanoate
CID 12003943
(2R)-4-methyl-2-(methylamino)pentanamide
CID 89050865
methyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate
CID 14036587
methyl 2-[(3-amino-1-methoxy-1-oxopropan-2-yl)amino]-4-methylpentanoate
CID 23573227
methyl 2-(2,4-dimethylpentan-3-ylamino)-4-methylpentanoate
CID 112743189
methyl 4-methyl-2-[[2-(methylamino)acetyl]amino]pentanoate
CID 43229599
methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoate;hydrochloride
CID 15598024
methyl 4,4-dimethyl-2-(methylamino)pentanoate
CID 62949491
methyl 2-(2-hydroxypropanoylamino)-4-methylpentanoate
CID 85353030

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-4-methyl-2-(methylamino)pentanoate;hydrochloride?
The IUPAC name of methyl (2S)-4-methyl-2-(methylamino)pentanoate;hydrochloride (CID 75487996) is methyl (2S)-4-methyl-2-(methylamino)pentanoate;hydrochloride.
What is the SMILES notation for methyl (2S)-4-methyl-2-(methylamino)pentanoate;hydrochloride?
The canonical SMILES for methyl (2S)-4-methyl-2-(methylamino)pentanoate;hydrochloride is CN[C@@H](CC(C)C)C(=O)OC.Cl.
What is the InChIKey of methyl (2S)-4-methyl-2-(methylamino)pentanoate;hydrochloride?
The InChIKey is VKYPGIMVFQAVJF-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H17NO2.ClH/c1-6(2)5-7(9-3)8(10)11-4;/h6-7,9H,5H2,1-4H3;1H/t7-;/m0./s1.
What are the key properties of methyl (2S)-4-methyl-2-(methylamino)pentanoate;hydrochloride?
methyl (2S)-4-methyl-2-(methylamino)pentanoate;hydrochloride has a molecular weight of 195.69 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-4-methyl-2-(methylamino)pentanoate;hydrochloride is sourced from PubChem (CID 75487996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).