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

C10H22N2O3S — CID 25034984

IUPAC(2S)-2-amino-4-(butylsulfonimidoyl)-2-ethylbutanoic acid
SMILES[H]N=[S@](=O)(CCCC)CC[C@@](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)/t10-,16-/m0/s1
InChIKeyNKSRTAWWMQLVBR-QFYYESIMSA-N
MW250.36 g/mol
LogP1.42
Rot. Bonds8

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

(2S)-2-amino-4-(butylsulfonimidoyl)-2-ethylbutanoic acid (PubChem CID 25034984) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is (2S)-2-amino-4-(butylsulfonimidoyl)-2-ethylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(butylsulfonimidoyl)-2-ethylbutanoic acid
PubChem CID25034984
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name(2S)-2-amino-4-(butylsulfonimidoyl)-2-ethylbutanoic acid
SMILES[H]N=[S@](=O)(CCCC)CC[C@@](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)/t10-,16-/m0/s1
InChIKeyNKSRTAWWMQLVBR-QFYYESIMSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(butylsulfonimidoyl)-2-ethylbutanoic acid?
The IUPAC name of (2S)-2-amino-4-(butylsulfonimidoyl)-2-ethylbutanoic acid (CID 25034984) is (2S)-2-amino-4-(butylsulfonimidoyl)-2-ethylbutanoic acid.
What is the SMILES notation for (2S)-2-amino-4-(butylsulfonimidoyl)-2-ethylbutanoic acid?
The canonical SMILES for (2S)-2-amino-4-(butylsulfonimidoyl)-2-ethylbutanoic acid is [H]N=[S@](=O)(CCCC)CC[C@@](N)(CC)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-(butylsulfonimidoyl)-2-ethylbutanoic acid?
The InChIKey is NKSRTAWWMQLVBR-QFYYESIMSA-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)/t10-,16-/m0/s1.
What are the key properties of (2S)-2-amino-4-(butylsulfonimidoyl)-2-ethylbutanoic acid?
(2S)-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 (2S)-2-amino-4-(butylsulfonimidoyl)-2-ethylbutanoic acid is sourced from PubChem (CID 25034984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).