ethyl 2-amino-4-fluoro-3-hydroxybutanoate

C6H12FNO3 — CID 71346341

IUPACethyl 2-amino-4-fluoro-3-hydroxybutanoate
SMILESCCOC(=O)C(N)C(O)CF
InChIInChI=1S/C6H12FNO3/c1-2-11-6(10)5(8)4(9)3-7/h4-5,9H,2-3,8H2,1H3
InChIKeyMRFLLPGPNQFKQG-UHFFFAOYSA-N
MW165.16 g/mol
LogP-0.79
Rot. Bonds4

About ethyl 2-amino-4-fluoro-3-hydroxybutanoate

ethyl 2-amino-4-fluoro-3-hydroxybutanoate (PubChem CID 71346341) has the molecular formula C6H12FNO3 and a molecular weight of 165.16 g/mol. Its IUPAC name is ethyl 2-amino-4-fluoro-3-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 2-amino-4-fluoro-3-hydroxybutanoate
PubChem CID71346341
Molecular FormulaC6H12FNO3
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Nameethyl 2-amino-4-fluoro-3-hydroxybutanoate
SMILESCCOC(=O)C(N)C(O)CF
InChIInChI=1S/C6H12FNO3/c1-2-11-6(10)5(8)4(9)3-7/h4-5,9H,2-3,8H2,1H3
InChIKeyMRFLLPGPNQFKQG-UHFFFAOYSA-N
XLogP-0.79
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

L-Threonine
CID 6288
2-Amino-3-hydroxybutanoic acid
CID 205
Allothreonine, L-
CID 99289
(2S,3R)-2-ammonio-3-hydroxybutanoate
CID 6971019
D-Threonine
CID 69435
(2S,3S)-2-ammonio-3-hydroxybutanoate
CID 6995276
D-Allothreonine
CID 90624
O-Methylthreonine
CID 2724875
Threonine, 4-fluoro-
CID 128057
(3R)-2-amino-3-hydroxybutanoic acid
CID 17757244
(S)-methyl 2-amino-3-hydroxypropanoate
CID 2723731
2-Amino-4,4,4-trifluoro-3-hydroxybutanoic acid
CID 360170

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-fluoro-3-hydroxybutanoate?
The IUPAC name of ethyl 2-amino-4-fluoro-3-hydroxybutanoate (CID 71346341) is ethyl 2-amino-4-fluoro-3-hydroxybutanoate.
What is the SMILES notation for ethyl 2-amino-4-fluoro-3-hydroxybutanoate?
The canonical SMILES for ethyl 2-amino-4-fluoro-3-hydroxybutanoate is CCOC(=O)C(N)C(O)CF.
What is the InChIKey of ethyl 2-amino-4-fluoro-3-hydroxybutanoate?
The InChIKey is MRFLLPGPNQFKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO3/c1-2-11-6(10)5(8)4(9)3-7/h4-5,9H,2-3,8H2,1H3.
What are the key properties of ethyl 2-amino-4-fluoro-3-hydroxybutanoate?
ethyl 2-amino-4-fluoro-3-hydroxybutanoate has a molecular weight of 165.16 g/mol, XLogP of -0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-fluoro-3-hydroxybutanoate is sourced from PubChem (CID 71346341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).