2-[cyclopropylmethyl-(1-methylimidazol-4-yl)sulfonylamino]acetic acid

C10H15N3O4S — CID 62375284

IUPAC2-[cyclopropylmethyl-(1-methylimidazol-4-yl)sulfonylamino]acetic acid
SMILESCn1cnc(S(=O)(=O)N(CC(=O)O)CC2CC2)c1
InChIInChI=1S/C10H15N3O4S/c1-12-5-9(11-7-12)18(16,17)13(6-10(14)15)4-8-2-3-8/h5,7-8H,2-4,6H2,1H3,(H,14,15)
InChIKeyUDDQGCWKXVVPOA-UHFFFAOYSA-N
MW273.31 g/mol
LogP-0.09
Rot. Bonds6

About 2-[cyclopropylmethyl-(1-methylimidazol-4-yl)sulfonylamino]acetic acid

2-[cyclopropylmethyl-(1-methylimidazol-4-yl)sulfonylamino]acetic acid (PubChem CID 62375284) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(1-methylimidazol-4-yl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(1-methylimidazol-4-yl)sulfonylamino]acetic acid
PubChem CID62375284
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name2-[cyclopropylmethyl-(1-methylimidazol-4-yl)sulfonylamino]acetic acid
SMILESCn1cnc(S(=O)(=O)N(CC(=O)O)CC2CC2)c1
InChIInChI=1S/C10H15N3O4S/c1-12-5-9(11-7-12)18(16,17)13(6-10(14)15)4-8-2-3-8/h5,7-8H,2-4,6H2,1H3,(H,14,15)
InChIKeyUDDQGCWKXVVPOA-UHFFFAOYSA-N
XLogP-0.09
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-(1-methylimidazol-4-yl)sulfonylamino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-(1-methylimidazol-4-yl)sulfonylamino]acetic acid (CID 62375284) is 2-[cyclopropylmethyl-(1-methylimidazol-4-yl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-(1-methylimidazol-4-yl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-(1-methylimidazol-4-yl)sulfonylamino]acetic acid is Cn1cnc(S(=O)(=O)N(CC(=O)O)CC2CC2)c1.
What is the InChIKey of 2-[cyclopropylmethyl-(1-methylimidazol-4-yl)sulfonylamino]acetic acid?
The InChIKey is UDDQGCWKXVVPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-12-5-9(11-7-12)18(16,17)13(6-10(14)15)4-8-2-3-8/h5,7-8H,2-4,6H2,1H3,(H,14,15).
What are the key properties of 2-[cyclopropylmethyl-(1-methylimidazol-4-yl)sulfonylamino]acetic acid?
2-[cyclopropylmethyl-(1-methylimidazol-4-yl)sulfonylamino]acetic acid has a molecular weight of 273.31 g/mol, XLogP of -0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-(1-methylimidazol-4-yl)sulfonylamino]acetic acid is sourced from PubChem (CID 62375284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).