2-amino-4-(butylsulfonimidoyl)-2-ethylbutanoic acid

C10H22N2O3S — CID 22221642

IUPAC2-amino-4-(butylsulfonimidoyl)-2-ethylbutanoic acid
SMILES[H]N=S(=O)(CCCC)CCC(N)(CC)C(=O)O
InChIInChI=1S/C10H22N2O3S/c1-3-5-7-16(12,15)8-6-10(11,4-2)9(13)14/h12H,3-8,11H2,1-2H3,(H,13,14)
InChIKeyNKSRTAWWMQLVBR-UHFFFAOYSA-N
MW250.36 g/mol
LogP1.42
Rot. Bonds8

About 2-amino-4-(butylsulfonimidoyl)-2-ethylbutanoic acid

2-amino-4-(butylsulfonimidoyl)-2-ethylbutanoic acid (PubChem CID 22221642) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-amino-4-(butylsulfonimidoyl)-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-amino-4-(butylsulfonimidoyl)-2-ethylbutanoic acid
PubChem CID22221642
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name2-amino-4-(butylsulfonimidoyl)-2-ethylbutanoic acid
SMILES[H]N=S(=O)(CCCC)CCC(N)(CC)C(=O)O
InChIInChI=1S/C10H22N2O3S/c1-3-5-7-16(12,15)8-6-10(11,4-2)9(13)14/h12H,3-8,11H2,1-2H3,(H,13,14)
InChIKeyNKSRTAWWMQLVBR-UHFFFAOYSA-N
XLogP1.42
TPSA104.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(3-Amino-3-carboxypropyl)sulfonimidoyl]methyl]butanoic acid
CID 44281529
2-Ethylmethionine sulfoximine
CID 25047483
Ethyl l-met
CID 57352420
(2S)-2-amino-4-[(3-fluoro-3-methylbutyl)sulfonimidoyl]butanoic acid
CID 170769722
2-Amino-4-methylsulfanyl-2-(2-methylsulfanylethyl)butanoic acid
CID 54287710
2-Amino-2-methyl-4-propylsulfanylbutanoic acid
CID 315690
CID 128339
CID 128339
Isovaline, 4-(S-methylsulfonimidoyl)-
CID 10352616
(2R)-2-amino-2-[2-(butylsulfonimidoyl)ethyl]-3-methylbutanoic acid
CID 18709904
(2S)-2-amino-2-[2-(butylsulfonimidoyl)ethyl]pentanoic acid
CID 18709905
(2S)-2-amino-4-(butylsulfonimidoyl)-2-ethylbutanoic acid
CID 18709907
2-Amino-3-methyl-2-propan-2-ylsulfinylbutanoic acid
CID 19690335

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(butylsulfonimidoyl)-2-ethylbutanoic acid?
The IUPAC name of 2-amino-4-(butylsulfonimidoyl)-2-ethylbutanoic acid (CID 22221642) is 2-amino-4-(butylsulfonimidoyl)-2-ethylbutanoic acid.
What is the SMILES notation for 2-amino-4-(butylsulfonimidoyl)-2-ethylbutanoic acid?
The canonical SMILES for 2-amino-4-(butylsulfonimidoyl)-2-ethylbutanoic acid is [H]N=S(=O)(CCCC)CCC(N)(CC)C(=O)O.
What is the InChIKey of 2-amino-4-(butylsulfonimidoyl)-2-ethylbutanoic acid?
The InChIKey is NKSRTAWWMQLVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-3-5-7-16(12,15)8-6-10(11,4-2)9(13)14/h12H,3-8,11H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-4-(butylsulfonimidoyl)-2-ethylbutanoic acid?
2-amino-4-(butylsulfonimidoyl)-2-ethylbutanoic acid has a molecular weight of 250.36 g/mol, XLogP of 1.42, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(butylsulfonimidoyl)-2-ethylbutanoic acid is sourced from PubChem (CID 22221642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).