(2S)-2-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid

C10H22N2O4S — CID 61137028

IUPAC(2S)-2-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid
SMILESCCCCN(C)S(=O)(=O)N[C@H](C(=O)O)C(C)C
InChIInChI=1S/C10H22N2O4S/c1-5-6-7-12(4)17(15,16)11-9(8(2)3)10(13)14/h8-9,11H,5-7H2,1-4H3,(H,13,14)/t9-/m0/s1
InChIKeyMFRZPBNFHSQJOM-VIFPVBQESA-N
MW266.36 g/mol
LogP0.66
Rot. Bonds8

About (2S)-2-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid

(2S)-2-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid (PubChem CID 61137028) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is (2S)-2-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid
PubChem CID61137028
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Name(2S)-2-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid
SMILESCCCCN(C)S(=O)(=O)N[C@H](C(=O)O)C(C)C
InChIInChI=1S/C10H22N2O4S/c1-5-6-7-12(4)17(15,16)11-9(8(2)3)10(13)14/h8-9,11H,5-7H2,1-4H3,(H,13,14)/t9-/m0/s1
InChIKeyMFRZPBNFHSQJOM-VIFPVBQESA-N
XLogP0.66
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2~{S})-3-methyl-2-(sulfamoylamino)butanoic acid
CID 28207331
(2R)-3-methyl-2-(sulfamoylamino)butanoic acid
CID 28207329
Dithio-bis-valin
CID 129890037
(2S)-2-[[(1S)-1-carboxy-2-methylpropyl]sulfamoylamino]-3-methylbutanoic acid
CID 134964133
2-(Dimethylsulfamoylamino)-3-methylbutanoic acid
CID 24262922
3-Methyl-2-(sulfamoylamino)butanoic acid
CID 24706187
(2R)-2-(dimethylsulfamoylamino)-3-methylbutanoic acid
CID 28363754
(2S)-2-(dimethylsulfamoylamino)-3-methylbutanoic acid
CID 28363756
(2R)-2-(dimethylsulfamoylamino)-4-methylpentanoic acid
CID 28363758
(2S)-3-methyl-2-(methylsulfamoylamino)butanoic acid
CID 53876274
3-Methyl-2-(methylsulfamoylamino)butanoic acid
CID 76080081
(2S)-3-methyl-2-(methylamino)butanoic acid;3-methyl-2-(methylamino)butanoic acid
CID 87146880

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid?
The IUPAC name of (2S)-2-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid (CID 61137028) is (2S)-2-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for (2S)-2-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid?
The canonical SMILES for (2S)-2-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid is CCCCN(C)S(=O)(=O)N[C@H](C(=O)O)C(C)C.
What is the InChIKey of (2S)-2-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid?
The InChIKey is MFRZPBNFHSQJOM-VIFPVBQESA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-5-6-7-12(4)17(15,16)11-9(8(2)3)10(13)14/h8-9,11H,5-7H2,1-4H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid?
(2S)-2-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid has a molecular weight of 266.36 g/mol, XLogP of 0.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 61137028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).