(2S)-2-amino-4-[2-(3,3-difluorocyclobutyl)ethylsulfonimidoyl]butanoic acid

C10H18F2N2O3S — CID 168879910

IUPAC(2S)-2-amino-4-[2-(3,3-difluorocyclobutyl)ethylsulfonimidoyl]butanoic acid
SMILES[H]N=S(=O)(CCC1CC(F)(F)C1)CC[C@H](N)C(=O)O
InChIInChI=1S/C10H18F2N2O3S/c11-10(12)5-7(6-10)1-3-18(14,17)4-2-8(13)9(15)16/h7-8,14H,1-6,13H2,(H,15,16)/t8-,18?/m0/s1
InChIKeyGHUYJSFQJARPFJ-RFXRWSEHSA-N
MW284.33 g/mol
LogP1.27
Rot. Bonds7

About (2S)-2-amino-4-[2-(3,3-difluorocyclobutyl)ethylsulfonimidoyl]butanoic acid

(2S)-2-amino-4-[2-(3,3-difluorocyclobutyl)ethylsulfonimidoyl]butanoic acid (PubChem CID 168879910) has the molecular formula C10H18F2N2O3S and a molecular weight of 284.33 g/mol. Its IUPAC name is (2S)-2-amino-4-[2-(3,3-difluorocyclobutyl)ethylsulfonimidoyl]butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-[2-(3,3-difluorocyclobutyl)ethylsulfonimidoyl]butanoic acid
PubChem CID168879910
Molecular FormulaC10H18F2N2O3S
Molecular Weight284.33 g/mol
Exact Mass284.10
IUPAC Name(2S)-2-amino-4-[2-(3,3-difluorocyclobutyl)ethylsulfonimidoyl]butanoic acid
SMILES[H]N=S(=O)(CCC1CC(F)(F)C1)CC[C@H](N)C(=O)O
InChIInChI=1S/C10H18F2N2O3S/c11-10(12)5-7(6-10)1-3-18(14,17)4-2-8(13)9(15)16/h7-8,14H,1-6,13H2,(H,15,16)/t8-,18?/m0/s1
InChIKeyGHUYJSFQJARPFJ-RFXRWSEHSA-N
XLogP1.27
TPSA104.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-[2-(3,3-difluorocyclobutyl)ethylsulfonimidoyl]butanoic acid?
The IUPAC name of (2S)-2-amino-4-[2-(3,3-difluorocyclobutyl)ethylsulfonimidoyl]butanoic acid (CID 168879910) is (2S)-2-amino-4-[2-(3,3-difluorocyclobutyl)ethylsulfonimidoyl]butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-[2-(3,3-difluorocyclobutyl)ethylsulfonimidoyl]butanoic acid?
The canonical SMILES for (2S)-2-amino-4-[2-(3,3-difluorocyclobutyl)ethylsulfonimidoyl]butanoic acid is [H]N=S(=O)(CCC1CC(F)(F)C1)CC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-[2-(3,3-difluorocyclobutyl)ethylsulfonimidoyl]butanoic acid?
The InChIKey is GHUYJSFQJARPFJ-RFXRWSEHSA-N. The full InChI is InChI=1S/C10H18F2N2O3S/c11-10(12)5-7(6-10)1-3-18(14,17)4-2-8(13)9(15)16/h7-8,14H,1-6,13H2,(H,15,16)/t8-,18?/m0/s1.
What are the key properties of (2S)-2-amino-4-[2-(3,3-difluorocyclobutyl)ethylsulfonimidoyl]butanoic acid?
(2S)-2-amino-4-[2-(3,3-difluorocyclobutyl)ethylsulfonimidoyl]butanoic acid has a molecular weight of 284.33 g/mol, XLogP of 1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-[2-(3,3-difluorocyclobutyl)ethylsulfonimidoyl]butanoic acid is sourced from PubChem (CID 168879910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).