4-(cyclopropylsulfonylamino)butanoic acid

C7H13NO4S — CID 64552604

IUPAC4-(cyclopropylsulfonylamino)butanoic acid
SMILESO=C(O)CCCNS(=O)(=O)C1CC1
InChIInChI=1S/C7H13NO4S/c9-7(10)2-1-5-8-13(11,12)6-3-4-6/h6,8H,1-5H2,(H,9,10)
InChIKeyBVDIXBWBUVJGOS-UHFFFAOYSA-N
MW207.25 g/mol
LogP-0.07
Rot. Bonds6

About 4-(cyclopropylsulfonylamino)butanoic acid

4-(cyclopropylsulfonylamino)butanoic acid (PubChem CID 64552604) has the molecular formula C7H13NO4S and a molecular weight of 207.25 g/mol. Its IUPAC name is 4-(cyclopropylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name4-(cyclopropylsulfonylamino)butanoic acid
PubChem CID64552604
Molecular FormulaC7H13NO4S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC Name4-(cyclopropylsulfonylamino)butanoic acid
SMILESO=C(O)CCCNS(=O)(=O)C1CC1
InChIInChI=1S/C7H13NO4S/c9-7(10)2-1-5-8-13(11,12)6-3-4-6/h6,8H,1-5H2,(H,9,10)
InChIKeyBVDIXBWBUVJGOS-UHFFFAOYSA-N
XLogP-0.07
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 120081507
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CID 120393912
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CID 121617567
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CID 16768947
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CID 20561413
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CID 20561417
CID 20561417
CID 57981847
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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylsulfonylamino)butanoic acid?
The IUPAC name of 4-(cyclopropylsulfonylamino)butanoic acid (CID 64552604) is 4-(cyclopropylsulfonylamino)butanoic acid.
What is the SMILES notation for 4-(cyclopropylsulfonylamino)butanoic acid?
The canonical SMILES for 4-(cyclopropylsulfonylamino)butanoic acid is O=C(O)CCCNS(=O)(=O)C1CC1.
What is the InChIKey of 4-(cyclopropylsulfonylamino)butanoic acid?
The InChIKey is BVDIXBWBUVJGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4S/c9-7(10)2-1-5-8-13(11,12)6-3-4-6/h6,8H,1-5H2,(H,9,10).
What are the key properties of 4-(cyclopropylsulfonylamino)butanoic acid?
4-(cyclopropylsulfonylamino)butanoic acid has a molecular weight of 207.25 g/mol, XLogP of -0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylsulfonylamino)butanoic acid is sourced from PubChem (CID 64552604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).