4-(cyclopropylsulfamoylamino)butanoic acid

C7H14N2O4S — CID 114517805

IUPAC4-(cyclopropylsulfamoylamino)butanoic acid
SMILESO=C(O)CCCNS(=O)(=O)NC1CC1
InChIInChI=1S/C7H14N2O4S/c10-7(11)2-1-5-8-14(12,13)9-6-3-4-6/h6,8-9H,1-5H2,(H,10,11)
InChIKeyUQCPFPFBVKJULP-UHFFFAOYSA-N
MW222.27 g/mol
LogP-0.56
Rot. Bonds7

About 4-(cyclopropylsulfamoylamino)butanoic acid

4-(cyclopropylsulfamoylamino)butanoic acid (PubChem CID 114517805) has the molecular formula C7H14N2O4S and a molecular weight of 222.27 g/mol. Its IUPAC name is 4-(cyclopropylsulfamoylamino)butanoic acid.

Molecular Properties

Compound Name4-(cyclopropylsulfamoylamino)butanoic acid
PubChem CID114517805
Molecular FormulaC7H14N2O4S
Molecular Weight222.27 g/mol
Exact Mass222.07
IUPAC Name4-(cyclopropylsulfamoylamino)butanoic acid
SMILESO=C(O)CCCNS(=O)(=O)NC1CC1
InChIInChI=1S/C7H14N2O4S/c10-7(11)2-1-5-8-14(12,13)9-6-3-4-6/h6,8-9H,1-5H2,(H,10,11)
InChIKeyUQCPFPFBVKJULP-UHFFFAOYSA-N
XLogP-0.56
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(Sulfoamino)butanoic acid
CID 71349511
1-Hydroxy-1-oxo-4-(sulfinatoamino)butane
CID 57148276
(2S)-2-amino-4-(cyclopropylsulfamoylamino)butanoic acid
CID 70945829
2-Amino-4-(cyclopropylsulfamoylamino)butanoic acid
CID 70945833
(2S)-2-amino-4-(sulfamoylamino)butanoic acid
CID 87289524
2-Amino-4-(sulfamoylamino)butanoic acid
CID 87289526
(2S)-2-amino-4-(3-aminopropylsulfamoylamino)butanoic acid
CID 89124075
2-Amino-4-(3-aminopropylsulfamoylamino)butanoic acid
CID 89124078
(2S)-2-amino-4-(methylsulfamoylamino)butanoic acid
CID 89124184
2-Amino-4-(methylsulfamoylamino)butanoic acid
CID 89124186
(2S)-2-amino-4-(propan-2-ylsulfamoylamino)butanoic acid
CID 89124239
2-Amino-4-(propan-2-ylsulfamoylamino)butanoic acid
CID 89124240

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylsulfamoylamino)butanoic acid?
The IUPAC name of 4-(cyclopropylsulfamoylamino)butanoic acid (CID 114517805) is 4-(cyclopropylsulfamoylamino)butanoic acid.
What is the SMILES notation for 4-(cyclopropylsulfamoylamino)butanoic acid?
The canonical SMILES for 4-(cyclopropylsulfamoylamino)butanoic acid is O=C(O)CCCNS(=O)(=O)NC1CC1.
What is the InChIKey of 4-(cyclopropylsulfamoylamino)butanoic acid?
The InChIKey is UQCPFPFBVKJULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4S/c10-7(11)2-1-5-8-14(12,13)9-6-3-4-6/h6,8-9H,1-5H2,(H,10,11).
What are the key properties of 4-(cyclopropylsulfamoylamino)butanoic acid?
4-(cyclopropylsulfamoylamino)butanoic acid has a molecular weight of 222.27 g/mol, XLogP of -0.56, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylsulfamoylamino)butanoic acid is sourced from PubChem (CID 114517805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).