methyl 2-amino-3-methylbutanoate chloride

C6H13ClNO2- — CID 3083912

IUPACmethyl 2-amino-3-methylbutanoate chloride
SMILESCOC(=O)C(N)C(C)C.[Cl-]
InChIInChI=1S/C6H13NO2.ClH/c1-4(2)5(7)6(8)9-3;/h4-5H,7H2,1-3H3;1H/p-1
InChIKeyKUGLDBMQKZTXPW-UHFFFAOYSA-M
MW166.63 g/mol
LogP-2.85
Rot. Bonds2

About methyl 2-amino-3-methylbutanoate chloride

methyl 2-amino-3-methylbutanoate chloride (PubChem CID 3083912) has the molecular formula C6H13ClNO2- and a molecular weight of 166.63 g/mol. Its IUPAC name is methyl 2-amino-3-methylbutanoate chloride.

Molecular Properties

Compound Namemethyl 2-amino-3-methylbutanoate chloride
PubChem CID3083912
Molecular FormulaC6H13ClNO2-
Molecular Weight166.63 g/mol
Exact Mass166.06
IUPAC Namemethyl 2-amino-3-methylbutanoate chloride
SMILESCOC(=O)C(N)C(C)C.[Cl-]
InChIInChI=1S/C6H13NO2.ClH/c1-4(2)5(7)6(8)9-3;/h4-5H,7H2,1-3H3;1H/p-1
InChIKeyKUGLDBMQKZTXPW-UHFFFAOYSA-M
XLogP-2.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.63
LogP ≤ 5-2.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-amino-3-fluoro-4-methylpentanoate
CID 131230035
methyl (2S,3R)-2-amino-3-fluorobutanoate
CID 131009170
methyl (3R)-2-amino-3-methoxybutanoate
CID 87094409
amino (2R)-2-amino-3-methylbutanoate
CID 135308017
(2S,3S)-3-amino-4-methoxy-2-methyl-4-oxobutanoic acid
CID 91023658
methyl 2-aminopropanoate
CID 159707893
dimethyl (2S)-2-amino-3-hydroxybutanedioate
CID 11030367
1-hydroxyethyl 2-amino-3-methylbutanoate
CID 87071351
iodo 2-amino-3-methylbutanoate
CID 76549706
2-amino-3-methylbutanoic acid;methyl acetate
CID 174767178
methyl 2-amino-3-methylpent-4-enoate
CID 15609996
[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]azanium chloride
CID 11041097

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-methylbutanoate chloride?
The IUPAC name of methyl 2-amino-3-methylbutanoate chloride (CID 3083912) is methyl 2-amino-3-methylbutanoate chloride.
What is the SMILES notation for methyl 2-amino-3-methylbutanoate chloride?
The canonical SMILES for methyl 2-amino-3-methylbutanoate chloride is COC(=O)C(N)C(C)C.[Cl-].
What is the InChIKey of methyl 2-amino-3-methylbutanoate chloride?
The InChIKey is KUGLDBMQKZTXPW-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H13NO2.ClH/c1-4(2)5(7)6(8)9-3;/h4-5H,7H2,1-3H3;1H/p-1.
What are the key properties of methyl 2-amino-3-methylbutanoate chloride?
methyl 2-amino-3-methylbutanoate chloride has a molecular weight of 166.63 g/mol, XLogP of -2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-methylbutanoate chloride is sourced from PubChem (CID 3083912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).