methyl (2R)-2-amino-3-fluoro-4-methylpentanoate

C7H14FNO2 — CID 131230035

IUPACmethyl (2R)-2-amino-3-fluoro-4-methylpentanoate
SMILESCOC(=O)[C@@H](N)C(F)C(C)C
InChIInChI=1S/C7H14FNO2/c1-4(2)5(8)6(9)7(10)11-3/h4-6H,9H2,1-3H3/t5?,6-/m0/s1
InChIKeyJXSCOWNRQCWKRN-GDVGLLTNSA-N
MW163.19 g/mol
LogP0.48
Rot. Bonds3

About methyl (2R)-2-amino-3-fluoro-4-methylpentanoate

methyl (2R)-2-amino-3-fluoro-4-methylpentanoate (PubChem CID 131230035) has the molecular formula C7H14FNO2 and a molecular weight of 163.19 g/mol. Its IUPAC name is methyl (2R)-2-amino-3-fluoro-4-methylpentanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-3-fluoro-4-methylpentanoate
PubChem CID131230035
Molecular FormulaC7H14FNO2
Molecular Weight163.19 g/mol
Exact Mass163.10
IUPAC Namemethyl (2R)-2-amino-3-fluoro-4-methylpentanoate
SMILESCOC(=O)[C@@H](N)C(F)C(C)C
InChIInChI=1S/C7H14FNO2/c1-4(2)5(8)6(9)7(10)11-3/h4-6H,9H2,1-3H3/t5?,6-/m0/s1
InChIKeyJXSCOWNRQCWKRN-GDVGLLTNSA-N
XLogP0.48
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S,3R)-2-amino-3-fluorobutanoate
CID 131009170
methyl 2-amino-3-methylbutanoate chloride
CID 3083912
methyl (2S)-2-amino-3,4,7-trifluoro-6-hydroxyheptanoate
CID 175539539
methyl (3R)-2-amino-3-methoxybutanoate
CID 87094409
(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
methyl (2S)-3,3-difluoro-2-hydroxypropanoate
CID 178200832
methyl 2-(1,1-difluoropropan-2-ylamino)propanoate
CID 102869349
methyl 2-amino-4,4,4-trifluoro-3-methoxybutanoate
CID 167732301
methyl 2-amino-3-methylpent-4-enoate
CID 15609996
(3R)-3-amino-2-tert-butyl-4-methoxy-4-oxobutanoic acid
CID 91435919

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-3-fluoro-4-methylpentanoate?
The IUPAC name of methyl (2R)-2-amino-3-fluoro-4-methylpentanoate (CID 131230035) is methyl (2R)-2-amino-3-fluoro-4-methylpentanoate.
What is the SMILES notation for methyl (2R)-2-amino-3-fluoro-4-methylpentanoate?
The canonical SMILES for methyl (2R)-2-amino-3-fluoro-4-methylpentanoate is COC(=O)[C@@H](N)C(F)C(C)C.
What is the InChIKey of methyl (2R)-2-amino-3-fluoro-4-methylpentanoate?
The InChIKey is JXSCOWNRQCWKRN-GDVGLLTNSA-N. The full InChI is InChI=1S/C7H14FNO2/c1-4(2)5(8)6(9)7(10)11-3/h4-6H,9H2,1-3H3/t5?,6-/m0/s1.
What are the key properties of methyl (2R)-2-amino-3-fluoro-4-methylpentanoate?
methyl (2R)-2-amino-3-fluoro-4-methylpentanoate has a molecular weight of 163.19 g/mol, XLogP of 0.48, 3 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-fluoro-4-methylpentanoate is sourced from PubChem (CID 131230035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).