(2S)-2-amino-2-[2-(butylsulfonimidoyl)ethyl]pentanoic acid

C11H24N2O3S — CID 18709905

IUPAC(2S)-2-amino-2-[2-(butylsulfonimidoyl)ethyl]pentanoic acid
SMILES[H]N=S(=O)(CCCC)CC[C@@](N)(CCC)C(=O)O
InChIInChI=1S/C11H24N2O3S/c1-3-5-8-17(13,16)9-7-11(12,6-4-2)10(14)15/h13H,3-9,12H2,1-2H3,(H,14,15)/t11-,17?/m0/s1
InChIKeyCAUTYCQERFLRCD-PIJUOJQZSA-N
MW264.39 g/mol
LogP1.81
Rot. Bonds9

About (2S)-2-amino-2-[2-(butylsulfonimidoyl)ethyl]pentanoic acid

(2S)-2-amino-2-[2-(butylsulfonimidoyl)ethyl]pentanoic acid (PubChem CID 18709905) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is (2S)-2-amino-2-[2-(butylsulfonimidoyl)ethyl]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-[2-(butylsulfonimidoyl)ethyl]pentanoic acid
PubChem CID18709905
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name(2S)-2-amino-2-[2-(butylsulfonimidoyl)ethyl]pentanoic acid
SMILES[H]N=S(=O)(CCCC)CC[C@@](N)(CCC)C(=O)O
InChIInChI=1S/C11H24N2O3S/c1-3-5-8-17(13,16)9-7-11(12,6-4-2)10(14)15/h13H,3-9,12H2,1-2H3,(H,14,15)/t11-,17?/m0/s1
InChIKeyCAUTYCQERFLRCD-PIJUOJQZSA-N
XLogP1.81
TPSA104.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[2-(butylsulfonimidoyl)ethyl]pentanoic acid?
The IUPAC name of (2S)-2-amino-2-[2-(butylsulfonimidoyl)ethyl]pentanoic acid (CID 18709905) is (2S)-2-amino-2-[2-(butylsulfonimidoyl)ethyl]pentanoic acid.
What is the SMILES notation for (2S)-2-amino-2-[2-(butylsulfonimidoyl)ethyl]pentanoic acid?
The canonical SMILES for (2S)-2-amino-2-[2-(butylsulfonimidoyl)ethyl]pentanoic acid is [H]N=S(=O)(CCCC)CC[C@@](N)(CCC)C(=O)O.
What is the InChIKey of (2S)-2-amino-2-[2-(butylsulfonimidoyl)ethyl]pentanoic acid?
The InChIKey is CAUTYCQERFLRCD-PIJUOJQZSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-3-5-8-17(13,16)9-7-11(12,6-4-2)10(14)15/h13H,3-9,12H2,1-2H3,(H,14,15)/t11-,17?/m0/s1.
What are the key properties of (2S)-2-amino-2-[2-(butylsulfonimidoyl)ethyl]pentanoic acid?
(2S)-2-amino-2-[2-(butylsulfonimidoyl)ethyl]pentanoic acid has a molecular weight of 264.39 g/mol, XLogP of 1.81, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[2-(butylsulfonimidoyl)ethyl]pentanoic acid is sourced from PubChem (CID 18709905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).