tert-butyl 3-amino-5-fluoro-2-hydroxypentanoate

C9H18FNO3 — CID 139944823

IUPACtert-butyl 3-amino-5-fluoro-2-hydroxypentanoate
SMILESCC(C)(C)OC(=O)C(O)C(N)CCF
InChIInChI=1S/C9H18FNO3/c1-9(2,3)14-8(13)7(12)6(11)4-5-10/h6-7,12H,4-5,11H2,1-3H3
InChIKeyZZFBTIKEDAXHPF-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.38
Rot. Bonds4

About tert-butyl 3-amino-5-fluoro-2-hydroxypentanoate

tert-butyl 3-amino-5-fluoro-2-hydroxypentanoate (PubChem CID 139944823) has the molecular formula C9H18FNO3 and a molecular weight of 207.24 g/mol. Its IUPAC name is tert-butyl 3-amino-5-fluoro-2-hydroxypentanoate.

Molecular Properties

Compound Nametert-butyl 3-amino-5-fluoro-2-hydroxypentanoate
PubChem CID139944823
Molecular FormulaC9H18FNO3
Molecular Weight207.24 g/mol
Exact Mass207.13
IUPAC Nametert-butyl 3-amino-5-fluoro-2-hydroxypentanoate
SMILESCC(C)(C)OC(=O)C(O)C(N)CCF
InChIInChI=1S/C9H18FNO3/c1-9(2,3)14-8(13)7(12)6(11)4-5-10/h6-7,12H,4-5,11H2,1-3H3
InChIKeyZZFBTIKEDAXHPF-UHFFFAOYSA-N
XLogP0.38
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-5-fluoro-2-hydroxypentanoate?
The IUPAC name of tert-butyl 3-amino-5-fluoro-2-hydroxypentanoate (CID 139944823) is tert-butyl 3-amino-5-fluoro-2-hydroxypentanoate.
What is the SMILES notation for tert-butyl 3-amino-5-fluoro-2-hydroxypentanoate?
The canonical SMILES for tert-butyl 3-amino-5-fluoro-2-hydroxypentanoate is CC(C)(C)OC(=O)C(O)C(N)CCF.
What is the InChIKey of tert-butyl 3-amino-5-fluoro-2-hydroxypentanoate?
The InChIKey is ZZFBTIKEDAXHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO3/c1-9(2,3)14-8(13)7(12)6(11)4-5-10/h6-7,12H,4-5,11H2,1-3H3.
What are the key properties of tert-butyl 3-amino-5-fluoro-2-hydroxypentanoate?
tert-butyl 3-amino-5-fluoro-2-hydroxypentanoate has a molecular weight of 207.24 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-5-fluoro-2-hydroxypentanoate is sourced from PubChem (CID 139944823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).