methyl (2S,3R)-2-amino-3-fluorobutanoate

C5H10FNO2 — CID 131009170

IUPACmethyl (2S,3R)-2-amino-3-fluorobutanoate
SMILESCOC(=O)[C@H](N)[C@@H](C)F
InChIInChI=1S/C5H10FNO2/c1-3(6)4(7)5(8)9-2/h3-4H,7H2,1-2H3/t3-,4-/m1/s1
InChIKeyNEZLXZLCTHMHAF-QWWZWVQMSA-N
MW135.14 g/mol
LogP-0.16
Rot. Bonds2

About methyl (2S,3R)-2-amino-3-fluorobutanoate

methyl (2S,3R)-2-amino-3-fluorobutanoate (PubChem CID 131009170) has the molecular formula C5H10FNO2 and a molecular weight of 135.14 g/mol. Its IUPAC name is methyl (2S,3R)-2-amino-3-fluorobutanoate.

Molecular Properties

Compound Namemethyl (2S,3R)-2-amino-3-fluorobutanoate
PubChem CID131009170
Molecular FormulaC5H10FNO2
Molecular Weight135.14 g/mol
Exact Mass135.07
IUPAC Namemethyl (2S,3R)-2-amino-3-fluorobutanoate
SMILESCOC(=O)[C@H](N)[C@@H](C)F
InChIInChI=1S/C5H10FNO2/c1-3(6)4(7)5(8)9-2/h3-4H,7H2,1-2H3/t3-,4-/m1/s1
InChIKeyNEZLXZLCTHMHAF-QWWZWVQMSA-N
XLogP-0.16
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.14
LogP ≤ 5-0.16
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 2-amino-3-methylbutanoate chloride
CID 3083912
methyl (3R)-2-amino-3-methoxybutanoate
CID 87094409
(2S,3S)-3-amino-4-methoxy-2-methyl-4-oxobutanoic acid
CID 91023658
methyl (2S,3R)-2-chloro-3-fluorobutanoate
CID 124708312
methyl 2-aminopropanoate
CID 159707893
dimethyl (2S)-2-amino-3-hydroxybutanedioate
CID 11030367
methyl 2-amino-4,4,4-trifluoro-3-methoxybutanoate
CID 167732301
methyl 2-amino-3-methylpent-4-enoate
CID 15609996
methyl (2S,3S)-3-amino-2-methylbutanoate
CID 55285448
methyl (2R)-2-fluoropropanoate;methyl (2S)-2-hydroxypropanoate
CID 159507124
methyl (2R,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate;hydrochloride
CID 53393715

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-2-amino-3-fluorobutanoate?
The IUPAC name of methyl (2S,3R)-2-amino-3-fluorobutanoate (CID 131009170) is methyl (2S,3R)-2-amino-3-fluorobutanoate.
What is the SMILES notation for methyl (2S,3R)-2-amino-3-fluorobutanoate?
The canonical SMILES for methyl (2S,3R)-2-amino-3-fluorobutanoate is COC(=O)[C@H](N)[C@@H](C)F.
What is the InChIKey of methyl (2S,3R)-2-amino-3-fluorobutanoate?
The InChIKey is NEZLXZLCTHMHAF-QWWZWVQMSA-N. The full InChI is InChI=1S/C5H10FNO2/c1-3(6)4(7)5(8)9-2/h3-4H,7H2,1-2H3/t3-,4-/m1/s1.
What are the key properties of methyl (2S,3R)-2-amino-3-fluorobutanoate?
methyl (2S,3R)-2-amino-3-fluorobutanoate has a molecular weight of 135.14 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-2-amino-3-fluorobutanoate is sourced from PubChem (CID 131009170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).