methyl (2R)-2-amino-4-fluorobutanoate

C5H10FNO2 — CID 124512753

IUPACmethyl (2R)-2-amino-4-fluorobutanoate
SMILESCOC(=O)[C@H](N)CCF
InChIInChI=1S/C5H10FNO2/c1-9-5(8)4(7)2-3-6/h4H,2-3,7H2,1H3/t4-/m1/s1
InChIKeyIYXULAKDLPCWPN-SCSAIBSYSA-N
MW135.14 g/mol
LogP-0.15
Rot. Bonds3

About methyl (2R)-2-amino-4-fluorobutanoate

methyl (2R)-2-amino-4-fluorobutanoate (PubChem CID 124512753) has the molecular formula C5H10FNO2 and a molecular weight of 135.14 g/mol. Its IUPAC name is methyl (2R)-2-amino-4-fluorobutanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-4-fluorobutanoate
PubChem CID124512753
Molecular FormulaC5H10FNO2
Molecular Weight135.14 g/mol
Exact Mass135.07
IUPAC Namemethyl (2R)-2-amino-4-fluorobutanoate
SMILESCOC(=O)[C@H](N)CCF
InChIInChI=1S/C5H10FNO2/c1-9-5(8)4(7)2-3-6/h4H,2-3,7H2,1H3/t4-/m1/s1
InChIKeyIYXULAKDLPCWPN-SCSAIBSYSA-N
XLogP-0.15
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.14
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-5-fluoropentanoate
CID 81106108
methyl (2R)-2,4-diaminobutanoate;dihydrochloride
CID 155920841
methyl 2-aminopentanoate
CID 533890
ethane;methyl 2,5-diaminopentanoate
CID 142442335
methyl 2-amino-6-fluoro-5,5-bis(fluoromethyl)hexanoate
CID 174676834
dimethyl (2S)-2-amino(1,2,3,4,5-13C5)pentanedioate
CID 171381659
methyl (2S)-2-amino-4-sulfanylbutanoate;hydrochloride
CID 142639928
methyl (2S)-2-aminohexanoate
CID 7018840
(4R)-4-amino-5-methoxy-5-oxopentanoic acid
CID 54301988
methyl (2R)-2-amino-6,6,6-trifluorohexanoate
CID 122585346
methyl 2-amino-4-sulfamoylbutanoate
CID 54407912
methyl (2R)-2-amino-6-hydroxyhexanoate
CID 129365766

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-4-fluorobutanoate?
The IUPAC name of methyl (2R)-2-amino-4-fluorobutanoate (CID 124512753) is methyl (2R)-2-amino-4-fluorobutanoate.
What is the SMILES notation for methyl (2R)-2-amino-4-fluorobutanoate?
The canonical SMILES for methyl (2R)-2-amino-4-fluorobutanoate is COC(=O)[C@H](N)CCF.
What is the InChIKey of methyl (2R)-2-amino-4-fluorobutanoate?
The InChIKey is IYXULAKDLPCWPN-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H10FNO2/c1-9-5(8)4(7)2-3-6/h4H,2-3,7H2,1H3/t4-/m1/s1.
What are the key properties of methyl (2R)-2-amino-4-fluorobutanoate?
methyl (2R)-2-amino-4-fluorobutanoate has a molecular weight of 135.14 g/mol, XLogP of -0.15, 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-4-fluorobutanoate is sourced from PubChem (CID 124512753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).