4-(cyclopropylsulfamoylamino)-3-methylbutanoic acid

C8H16N2O4S — CID 114533498

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

About 4-(cyclopropylsulfamoylamino)-3-methylbutanoic acid

4-(cyclopropylsulfamoylamino)-3-methylbutanoic acid (PubChem CID 114533498) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is 4-(cyclopropylsulfamoylamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name4-(cyclopropylsulfamoylamino)-3-methylbutanoic acid
PubChem CID114533498
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name4-(cyclopropylsulfamoylamino)-3-methylbutanoic acid
SMILESCC(CNS(=O)(=O)NC1CC1)CC(=O)O
InChIInChI=1S/C8H16N2O4S/c1-6(4-8(11)12)5-9-15(13,14)10-7-2-3-7/h6-7,9-10H,2-5H2,1H3,(H,11,12)
InChIKeyXGABGUYOVVDSAZ-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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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylsulfamoylamino)-3-methylbutanoic acid?
The IUPAC name of 4-(cyclopropylsulfamoylamino)-3-methylbutanoic acid (CID 114533498) is 4-(cyclopropylsulfamoylamino)-3-methylbutanoic acid.
What is the SMILES notation for 4-(cyclopropylsulfamoylamino)-3-methylbutanoic acid?
The canonical SMILES for 4-(cyclopropylsulfamoylamino)-3-methylbutanoic acid is CC(CNS(=O)(=O)NC1CC1)CC(=O)O.
What is the InChIKey of 4-(cyclopropylsulfamoylamino)-3-methylbutanoic acid?
The InChIKey is XGABGUYOVVDSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-6(4-8(11)12)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)-3-methylbutanoic acid?
4-(cyclopropylsulfamoylamino)-3-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)-3-methylbutanoic acid is sourced from PubChem (CID 114533498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).