methyl (3R)-3-amino-2,2,4-trimethylpentanoate;hydrochloride

C9H20ClNO2 — CID 146049302

IUPACmethyl (3R)-3-amino-2,2,4-trimethylpentanoate;hydrochloride
SMILESCOC(=O)C(C)(C)[C@H](N)C(C)C.Cl
InChIInChI=1S/C9H19NO2.ClH/c1-6(2)7(10)9(3,4)8(11)12-5;/h6-7H,10H2,1-5H3;1H/t7-;/m1./s1
InChIKeyAVRFZZMJCUUYIJ-OGFXRTJISA-N
MW209.72 g/mol
LogP1.59
Rot. Bonds3

About methyl (3R)-3-amino-2,2,4-trimethylpentanoate;hydrochloride

methyl (3R)-3-amino-2,2,4-trimethylpentanoate;hydrochloride (PubChem CID 146049302) has the molecular formula C9H20ClNO2 and a molecular weight of 209.72 g/mol. Its IUPAC name is methyl (3R)-3-amino-2,2,4-trimethylpentanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (3R)-3-amino-2,2,4-trimethylpentanoate;hydrochloride
PubChem CID146049302
Molecular FormulaC9H20ClNO2
Molecular Weight209.72 g/mol
Exact Mass209.12
IUPAC Namemethyl (3R)-3-amino-2,2,4-trimethylpentanoate;hydrochloride
SMILESCOC(=O)C(C)(C)[C@H](N)C(C)C.Cl
InChIInChI=1S/C9H19NO2.ClH/c1-6(2)7(10)9(3,4)8(11)12-5;/h6-7H,10H2,1-5H3;1H/t7-;/m1./s1
InChIKeyAVRFZZMJCUUYIJ-OGFXRTJISA-N
XLogP1.59
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl 3-amino-2,2,4,4-tetramethylpentanedioate
CID 105489493
dimethyl 2-(1-aminoethyl)-2-methylpropanedioate
CID 154853473
methyl 3-amino-2,2-dimethyl-3-phenylpropanoate;hydrochloride
CID 14426986
methyl (3S)-3-amino-3-(2,6-dimethylphenyl)-2,2-dimethylpropanoate;hydrochloride
CID 171247825
methyl 3-amino-2,2-dimethylhexanoate
CID 115014178
methyl 3-(dimethylamino)-2,2,4,4-tetramethylpentanoate
CID 116910331
methyl 3-(hydroxyamino)-2,2,4,4-tetramethylpentanoate
CID 16658549
methyl (3S)-3-amino-2,2-dimethyl-3-(5-methylfuran-2-yl)propanoate;hydrochloride
CID 171243740
methyl (3R)-3-amino-3-(4-hydroxy-3,5-diiodophenyl)-2,2-dimethylpropanoate;hydrochloride
CID 171244903
methyl 4-[(1R)-1-amino-3-methoxy-2,2-dimethyl-3-oxopropyl]benzoate;hydrochloride
CID 171243855
methyl 2,2-diaminopropanoate;dihydrochloride
CID 142678303
methyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoate
CID 79011701

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-amino-2,2,4-trimethylpentanoate;hydrochloride?
The IUPAC name of methyl (3R)-3-amino-2,2,4-trimethylpentanoate;hydrochloride (CID 146049302) is methyl (3R)-3-amino-2,2,4-trimethylpentanoate;hydrochloride.
What is the SMILES notation for methyl (3R)-3-amino-2,2,4-trimethylpentanoate;hydrochloride?
The canonical SMILES for methyl (3R)-3-amino-2,2,4-trimethylpentanoate;hydrochloride is COC(=O)C(C)(C)[C@H](N)C(C)C.Cl.
What is the InChIKey of methyl (3R)-3-amino-2,2,4-trimethylpentanoate;hydrochloride?
The InChIKey is AVRFZZMJCUUYIJ-OGFXRTJISA-N. The full InChI is InChI=1S/C9H19NO2.ClH/c1-6(2)7(10)9(3,4)8(11)12-5;/h6-7H,10H2,1-5H3;1H/t7-;/m1./s1.
What are the key properties of methyl (3R)-3-amino-2,2,4-trimethylpentanoate;hydrochloride?
methyl (3R)-3-amino-2,2,4-trimethylpentanoate;hydrochloride has a molecular weight of 209.72 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-amino-2,2,4-trimethylpentanoate;hydrochloride is sourced from PubChem (CID 146049302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).