4-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid

C8H16N2O6S — CID 114461882

IUPAC4-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
SMILESCC(C)OC(=O)NS(=O)(=O)NCCCC(=O)O
InChIInChI=1S/C8H16N2O6S/c1-6(2)16-8(13)10-17(14,15)9-5-3-4-7(11)12/h6,9H,3-5H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyMGRVKTRWWRTADD-UHFFFAOYSA-N
MW268.29 g/mol
LogP-0.18
Rot. Bonds7

About 4-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid

4-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid (PubChem CID 114461882) has the molecular formula C8H16N2O6S and a molecular weight of 268.29 g/mol. Its IUPAC name is 4-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid.

Molecular Properties

Compound Name4-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
PubChem CID114461882
Molecular FormulaC8H16N2O6S
Molecular Weight268.29 g/mol
Exact Mass268.07
IUPAC Name4-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
SMILESCC(C)OC(=O)NS(=O)(=O)NCCCC(=O)O
InChIInChI=1S/C8H16N2O6S/c1-6(2)16-8(13)10-17(14,15)9-5-3-4-7(11)12/h6,9H,3-5H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyMGRVKTRWWRTADD-UHFFFAOYSA-N
XLogP-0.18
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-Oxobutylsulfamoylcarbamoyloxy)butanoic acid
CID 170404257
4-(Ethoxycarbonylsulfamoylamino)-3-methoxybutanoic acid
CID 103153445
3-Methoxy-4-(methoxycarbonylsulfamoylamino)butanoic acid
CID 103153464
3-Methoxy-4-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
CID 103153465
3-Methoxy-4-(2-methoxyethylsulfamoylamino)butanoic acid
CID 103153508
3-Methoxy-4-(propylsulfamoylamino)butanoic acid
CID 103153617
(2R)-2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
CID 104929158
(2S)-2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
CID 104929177
ethyl N-(4-hydroxypentylsulfamoyl)carbamate
CID 106126026
propan-2-yl N-(4-hydroxybutylsulfamoyl)carbamate
CID 106843918
4-(Ethoxycarbonylsulfamoylamino)-2-hydroxybutanoic acid
CID 107835246
2-Hydroxy-4-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
CID 107835258

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid?
The IUPAC name of 4-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid (CID 114461882) is 4-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid.
What is the SMILES notation for 4-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid?
The canonical SMILES for 4-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid is CC(C)OC(=O)NS(=O)(=O)NCCCC(=O)O.
What is the InChIKey of 4-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid?
The InChIKey is MGRVKTRWWRTADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O6S/c1-6(2)16-8(13)10-17(14,15)9-5-3-4-7(11)12/h6,9H,3-5H2,1-2H3,(H,10,13)(H,11,12).
What are the key properties of 4-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid?
4-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid has a molecular weight of 268.29 g/mol, XLogP of -0.18, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid is sourced from PubChem (CID 114461882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).