2-[[methyl(propan-2-yl)sulfamoyl]-prop-2-enylamino]acetic acid

C9H18N2O4S — CID 79264581

IUPAC2-[[methyl(propan-2-yl)sulfamoyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)S(=O)(=O)N(C)C(C)C
InChIInChI=1S/C9H18N2O4S/c1-5-6-11(7-9(12)13)16(14,15)10(4)8(2)3/h5,8H,1,6-7H2,2-4H3,(H,12,13)
InChIKeyOFVWAXORLUJKOY-UHFFFAOYSA-N
MW250.32 g/mol
LogP0.14
Rot. Bonds7

About 2-[[methyl(propan-2-yl)sulfamoyl]-prop-2-enylamino]acetic acid

2-[[methyl(propan-2-yl)sulfamoyl]-prop-2-enylamino]acetic acid (PubChem CID 79264581) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-[[methyl(propan-2-yl)sulfamoyl]-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[[methyl(propan-2-yl)sulfamoyl]-prop-2-enylamino]acetic acid
PubChem CID79264581
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name2-[[methyl(propan-2-yl)sulfamoyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)S(=O)(=O)N(C)C(C)C
InChIInChI=1S/C9H18N2O4S/c1-5-6-11(7-9(12)13)16(14,15)10(4)8(2)3/h5,8H,1,6-7H2,2-4H3,(H,12,13)
InChIKeyOFVWAXORLUJKOY-UHFFFAOYSA-N
XLogP0.14
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(propan-2-yl)sulfamoyl]-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[[methyl(propan-2-yl)sulfamoyl]-prop-2-enylamino]acetic acid (CID 79264581) is 2-[[methyl(propan-2-yl)sulfamoyl]-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[[methyl(propan-2-yl)sulfamoyl]-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[[methyl(propan-2-yl)sulfamoyl]-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)S(=O)(=O)N(C)C(C)C.
What is the InChIKey of 2-[[methyl(propan-2-yl)sulfamoyl]-prop-2-enylamino]acetic acid?
The InChIKey is OFVWAXORLUJKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-5-6-11(7-9(12)13)16(14,15)10(4)8(2)3/h5,8H,1,6-7H2,2-4H3,(H,12,13).
What are the key properties of 2-[[methyl(propan-2-yl)sulfamoyl]-prop-2-enylamino]acetic acid?
2-[[methyl(propan-2-yl)sulfamoyl]-prop-2-enylamino]acetic acid has a molecular weight of 250.32 g/mol, XLogP of 0.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(propan-2-yl)sulfamoyl]-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79264581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).