cyclohexyl (2S)-2-amino-3-fluoropropanoate

C9H16FNO2 — CID 54284079

IUPACcyclohexyl (2S)-2-amino-3-fluoropropanoate
SMILESN[C@H](CF)C(=O)OC1CCCCC1
InChIInChI=1S/C9H16FNO2/c10-6-8(11)9(12)13-7-4-2-1-3-5-7/h7-8H,1-6,11H2/t8-/m1/s1
InChIKeyRSVWMLAOYXHYFE-MRVPVSSYSA-N
MW189.23 g/mol
LogP1.16
Rot. Bonds3

About cyclohexyl (2S)-2-amino-3-fluoropropanoate

cyclohexyl (2S)-2-amino-3-fluoropropanoate (PubChem CID 54284079) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is cyclohexyl (2S)-2-amino-3-fluoropropanoate.

Molecular Properties

Compound Namecyclohexyl (2S)-2-amino-3-fluoropropanoate
PubChem CID54284079
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Namecyclohexyl (2S)-2-amino-3-fluoropropanoate
SMILESN[C@H](CF)C(=O)OC1CCCCC1
InChIInChI=1S/C9H16FNO2/c10-6-8(11)9(12)13-7-4-2-1-3-5-7/h7-8H,1-6,11H2/t8-/m1/s1
InChIKeyRSVWMLAOYXHYFE-MRVPVSSYSA-N
XLogP1.16
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl (2S)-2-amino-3-fluoropropanoate?
The IUPAC name of cyclohexyl (2S)-2-amino-3-fluoropropanoate (CID 54284079) is cyclohexyl (2S)-2-amino-3-fluoropropanoate.
What is the SMILES notation for cyclohexyl (2S)-2-amino-3-fluoropropanoate?
The canonical SMILES for cyclohexyl (2S)-2-amino-3-fluoropropanoate is N[C@H](CF)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl (2S)-2-amino-3-fluoropropanoate?
The InChIKey is RSVWMLAOYXHYFE-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16FNO2/c10-6-8(11)9(12)13-7-4-2-1-3-5-7/h7-8H,1-6,11H2/t8-/m1/s1.
What are the key properties of cyclohexyl (2S)-2-amino-3-fluoropropanoate?
cyclohexyl (2S)-2-amino-3-fluoropropanoate has a molecular weight of 189.23 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl (2S)-2-amino-3-fluoropropanoate is sourced from PubChem (CID 54284079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).