methyl (2R)-2-amino-3-methylbutanoate;hydrochloride

C6H14ClNO2 — CID 11984198

IUPACmethyl (2R)-2-amino-3-methylbutanoate;hydrochloride
SMILESCOC(=O)[C@H](N)C(C)C.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-4(2)5(7)6(8)9-3;/h4-5H,7H2,1-3H3;1H/t5-;/m1./s1
InChIKeyKUGLDBMQKZTXPW-NUBCRITNSA-N
MW167.64 g/mol
LogP0.56
Rot. Bonds2

About methyl (2R)-2-amino-3-methylbutanoate;hydrochloride

methyl (2R)-2-amino-3-methylbutanoate;hydrochloride (PubChem CID 11984198) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is methyl (2R)-2-amino-3-methylbutanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-2-amino-3-methylbutanoate;hydrochloride
PubChem CID11984198
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Namemethyl (2R)-2-amino-3-methylbutanoate;hydrochloride
SMILESCOC(=O)[C@H](N)C(C)C.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-4(2)5(7)6(8)9-3;/h4-5H,7H2,1-3H3;1H/t5-;/m1./s1
InChIKeyKUGLDBMQKZTXPW-NUBCRITNSA-N
XLogP0.56
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 88733505
CID 88733505
2-Aminoisovaleric acid
CID 6971018
(+)-L-Leucine methyl ester
CID 65105
Leucine methyl ester hydrochloride
CID 2723695
(2R)-2-ammonio-3-methylbutanoate
CID 6971095
L-Isoleucine, methyl ester
CID 75735
Valine methyl ester
CID 94285
l-Valine, ethyl ester
CID 87182
2-Azaniumyl-3-methylbutanoate
CID 5237032
Ethyl L-valinate hydrochloride
CID 87181
Methyl valinate hydrochloride
CID 111190
Methyl DL-leucinate hydrochloride
CID 410817

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-3-methylbutanoate;hydrochloride?
The IUPAC name of methyl (2R)-2-amino-3-methylbutanoate;hydrochloride (CID 11984198) is methyl (2R)-2-amino-3-methylbutanoate;hydrochloride.
What is the SMILES notation for methyl (2R)-2-amino-3-methylbutanoate;hydrochloride?
The canonical SMILES for methyl (2R)-2-amino-3-methylbutanoate;hydrochloride is COC(=O)[C@H](N)C(C)C.Cl.
What is the InChIKey of methyl (2R)-2-amino-3-methylbutanoate;hydrochloride?
The InChIKey is KUGLDBMQKZTXPW-NUBCRITNSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-4(2)5(7)6(8)9-3;/h4-5H,7H2,1-3H3;1H/t5-;/m1./s1.
What are the key properties of methyl (2R)-2-amino-3-methylbutanoate;hydrochloride?
methyl (2R)-2-amino-3-methylbutanoate;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-3-methylbutanoate;hydrochloride is sourced from PubChem (CID 11984198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).