4-(cyclopropylsulfamoylamino)-2-methylbutanoic acid

C8H16N2O4S — CID 114533481

IUPAC4-(cyclopropylsulfamoylamino)-2-methylbutanoic acid
SMILESCC(CCNS(=O)(=O)NC1CC1)C(=O)O
InChIInChI=1S/C8H16N2O4S/c1-6(8(11)12)4-5-9-15(13,14)10-7-2-3-7/h6-7,9-10H,2-5H2,1H3,(H,11,12)
InChIKeyLDUQFEQWJAVUEH-UHFFFAOYSA-N
MW236.29 g/mol
LogP-0.32
Rot. Bonds7

About 4-(cyclopropylsulfamoylamino)-2-methylbutanoic acid

4-(cyclopropylsulfamoylamino)-2-methylbutanoic acid (PubChem CID 114533481) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is 4-(cyclopropylsulfamoylamino)-2-methylbutanoic acid.

Molecular Properties

Compound Name4-(cyclopropylsulfamoylamino)-2-methylbutanoic acid
PubChem CID114533481
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name4-(cyclopropylsulfamoylamino)-2-methylbutanoic acid
SMILESCC(CCNS(=O)(=O)NC1CC1)C(=O)O
InChIInChI=1S/C8H16N2O4S/c1-6(8(11)12)4-5-9-15(13,14)10-7-2-3-7/h6-7,9-10H,2-5H2,1H3,(H,11,12)
InChIKeyLDUQFEQWJAVUEH-UHFFFAOYSA-N
XLogP-0.32
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(1S)-1-carboxy-2-methylpropyl]sulfamoylamino]-3-methylbutanoic acid
CID 134964133
(2S)-2-(tert-butylsulfamoylamino)-3-methylbutanoic acid
CID 88350115
(2S)-2-amino-4-(2-methylpropylsulfamoylamino)butanoic acid
CID 89124350
2-Amino-4-(2-methylpropylsulfamoylamino)butanoic acid
CID 89124353
(2S)-2-(butylsulfamoylamino)-3-methylbutanoic acid
CID 142646298
4-[[Methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
CID 61455727
2-[[[Methyl(propan-2-yl)sulfamoyl]amino]methyl]butanoic acid
CID 65222293
2-Methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
CID 80540254
4-(Dimethylsulfamoylamino)-2-methylbutanoic acid
CID 80540276
4-(Dipropylsulfamoylamino)-2-methylbutanoic acid
CID 80540285
4-[[Butyl(methyl)sulfamoyl]amino]-2-methylbutanoic acid
CID 80540305
4-(Diethylsulfamoylamino)-2-methylbutanoic acid
CID 80540484

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylsulfamoylamino)-2-methylbutanoic acid?
The IUPAC name of 4-(cyclopropylsulfamoylamino)-2-methylbutanoic acid (CID 114533481) is 4-(cyclopropylsulfamoylamino)-2-methylbutanoic acid.
What is the SMILES notation for 4-(cyclopropylsulfamoylamino)-2-methylbutanoic acid?
The canonical SMILES for 4-(cyclopropylsulfamoylamino)-2-methylbutanoic acid is CC(CCNS(=O)(=O)NC1CC1)C(=O)O.
What is the InChIKey of 4-(cyclopropylsulfamoylamino)-2-methylbutanoic acid?
The InChIKey is LDUQFEQWJAVUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-6(8(11)12)4-5-9-15(13,14)10-7-2-3-7/h6-7,9-10H,2-5H2,1H3,(H,11,12).
What are the key properties of 4-(cyclopropylsulfamoylamino)-2-methylbutanoic acid?
4-(cyclopropylsulfamoylamino)-2-methylbutanoic acid has a molecular weight of 236.29 g/mol, XLogP of -0.32, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylsulfamoylamino)-2-methylbutanoic acid is sourced from PubChem (CID 114533481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).