2-[cyclopropylsulfamoyl(prop-2-enyl)amino]acetic acid

C8H14N2O4S — CID 114533578

IUPAC2-[cyclopropylsulfamoyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)S(=O)(=O)NC1CC1
InChIInChI=1S/C8H14N2O4S/c1-2-5-10(6-8(11)12)15(13,14)9-7-3-4-7/h2,7,9H,1,3-6H2,(H,11,12)
InChIKeyQFYUCJNUUJYSCV-UHFFFAOYSA-N
MW234.28 g/mol
LogP-0.44
Rot. Bonds7

About 2-[cyclopropylsulfamoyl(prop-2-enyl)amino]acetic acid

2-[cyclopropylsulfamoyl(prop-2-enyl)amino]acetic acid (PubChem CID 114533578) has the molecular formula C8H14N2O4S and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-[cyclopropylsulfamoyl(prop-2-enyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylsulfamoyl(prop-2-enyl)amino]acetic acid
PubChem CID114533578
Molecular FormulaC8H14N2O4S
Molecular Weight234.28 g/mol
Exact Mass234.07
IUPAC Name2-[cyclopropylsulfamoyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)S(=O)(=O)NC1CC1
InChIInChI=1S/C8H14N2O4S/c1-2-5-10(6-8(11)12)15(13,14)9-7-3-4-7/h2,7,9H,1,3-6H2,(H,11,12)
InChIKeyQFYUCJNUUJYSCV-UHFFFAOYSA-N
XLogP-0.44
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[Methyl(propan-2-yl)sulfamoyl]-prop-2-enylamino]acetic acid
CID 79264581
Ethyl 2-[cyclopropylsulfamoyl(prop-2-enyl)amino]acetate
CID 114383110
2-[Prop-2-enyl(propylsulfamoyl)amino]acetic acid
CID 114806587
2-[Methylsulfamoyl(prop-2-enyl)amino]acetic acid
CID 114806588
2-[Propan-2-ylsulfamoyl(prop-2-enyl)amino]acetic acid
CID 114806590
2-[Ethylsulfamoyl(prop-2-enyl)amino]acetic acid
CID 114806591
2-[Tert-butylsulfamoyl(prop-2-enyl)amino]acetic acid
CID 114806592
2-[2-Methylpropylsulfamoyl(prop-2-enyl)amino]acetic acid
CID 114814721

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylsulfamoyl(prop-2-enyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylsulfamoyl(prop-2-enyl)amino]acetic acid (CID 114533578) is 2-[cyclopropylsulfamoyl(prop-2-enyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylsulfamoyl(prop-2-enyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylsulfamoyl(prop-2-enyl)amino]acetic acid is C=CCN(CC(=O)O)S(=O)(=O)NC1CC1.
What is the InChIKey of 2-[cyclopropylsulfamoyl(prop-2-enyl)amino]acetic acid?
The InChIKey is QFYUCJNUUJYSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4S/c1-2-5-10(6-8(11)12)15(13,14)9-7-3-4-7/h2,7,9H,1,3-6H2,(H,11,12).
What are the key properties of 2-[cyclopropylsulfamoyl(prop-2-enyl)amino]acetic acid?
2-[cyclopropylsulfamoyl(prop-2-enyl)amino]acetic acid has a molecular weight of 234.28 g/mol, XLogP of -0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylsulfamoyl(prop-2-enyl)amino]acetic acid is sourced from PubChem (CID 114533578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).