tert-butyl (3S)-3-amino-5-fluoro-4-hydroxypentanoate

C9H18FNO3 — CID 88580512

IUPACtert-butyl (3S)-3-amino-5-fluoro-4-hydroxypentanoate
SMILESCC(C)(C)OC(=O)C[C@H](N)C(O)CF
InChIInChI=1S/C9H18FNO3/c1-9(2,3)14-8(13)4-6(11)7(12)5-10/h6-7,12H,4-5,11H2,1-3H3/t6-,7?/m0/s1
InChIKeyGAOCYGMWQJTKPG-PKPIPKONSA-N
MW207.24 g/mol
LogP0.38
Rot. Bonds4

About tert-butyl (3S)-3-amino-5-fluoro-4-hydroxypentanoate

tert-butyl (3S)-3-amino-5-fluoro-4-hydroxypentanoate (PubChem CID 88580512) has the molecular formula C9H18FNO3 and a molecular weight of 207.24 g/mol. Its IUPAC name is tert-butyl (3S)-3-amino-5-fluoro-4-hydroxypentanoate.

Molecular Properties

Compound Nametert-butyl (3S)-3-amino-5-fluoro-4-hydroxypentanoate
PubChem CID88580512
Molecular FormulaC9H18FNO3
Molecular Weight207.24 g/mol
Exact Mass207.13
IUPAC Nametert-butyl (3S)-3-amino-5-fluoro-4-hydroxypentanoate
SMILESCC(C)(C)OC(=O)C[C@H](N)C(O)CF
InChIInChI=1S/C9H18FNO3/c1-9(2,3)14-8(13)4-6(11)7(12)5-10/h6-7,12H,4-5,11H2,1-3H3/t6-,7?/m0/s1
InChIKeyGAOCYGMWQJTKPG-PKPIPKONSA-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

Analyze tert-butyl (3S)-3-amino-5-fluoro-4-hydroxypentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (3S)-3-amino-4,4-dihydroxybutanoate
CID 139456392
tert-butyl 3,3-diaminopropanoate
CID 57031897
ditert-butyl (2S)-2-aminobutanedioate;ditert-butyl (2R)-2-aminobutanedioate
CID 163821206
tert-butyl (3S)-3,4-diamino-4-oxobutanoate
CID 7019655
tert-butyl 3-amino-4-hydroxy-5-pyridin-2-yloxypentanoate
CID 174656656
tert-butyl (3S)-4-hydroxy-3-methylhexanoate
CID 59153209
2-[(1S)-1-hydroxyethyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 158254830
tert-butyl (3S)-3-amino-4-hydroxy-5-(2,3,5,6-tetrafluorocyclohexa-1,3-dien-1-yl)oxypentanoate
CID 145399272
ditert-butyl (3S)-3-amino-2-oxopentanedioate
CID 175802480
ditert-butyl 4-amino-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]octanedioate
CID 88883424
tert-butyl 5-amino-3-ethyl-4-hydroxypentanoate
CID 59026228
tert-butyl (3R)-3,4,4-trimethylpentanoate
CID 89006070

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-amino-5-fluoro-4-hydroxypentanoate?
The IUPAC name of tert-butyl (3S)-3-amino-5-fluoro-4-hydroxypentanoate (CID 88580512) is tert-butyl (3S)-3-amino-5-fluoro-4-hydroxypentanoate.
What is the SMILES notation for tert-butyl (3S)-3-amino-5-fluoro-4-hydroxypentanoate?
The canonical SMILES for tert-butyl (3S)-3-amino-5-fluoro-4-hydroxypentanoate is CC(C)(C)OC(=O)C[C@H](N)C(O)CF.
What is the InChIKey of tert-butyl (3S)-3-amino-5-fluoro-4-hydroxypentanoate?
The InChIKey is GAOCYGMWQJTKPG-PKPIPKONSA-N. The full InChI is InChI=1S/C9H18FNO3/c1-9(2,3)14-8(13)4-6(11)7(12)5-10/h6-7,12H,4-5,11H2,1-3H3/t6-,7?/m0/s1.
What are the key properties of tert-butyl (3S)-3-amino-5-fluoro-4-hydroxypentanoate?
tert-butyl (3S)-3-amino-5-fluoro-4-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 (3S)-3-amino-5-fluoro-4-hydroxypentanoate is sourced from PubChem (CID 88580512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).