3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-2-methylpropanoic acid

C10H20N2O4S — CID 55122811

IUPAC3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)S(=O)(=O)N1CCCC1
InChIInChI=1S/C10H20N2O4S/c1-3-11(8-9(2)10(13)14)17(15,16)12-6-4-5-7-12/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyJDNOOOVYUMKADX-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.37
Rot. Bonds6

About 3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-2-methylpropanoic acid

3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-2-methylpropanoic acid (PubChem CID 55122811) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-2-methylpropanoic acid
PubChem CID55122811
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)S(=O)(=O)N1CCCC1
InChIInChI=1S/C10H20N2O4S/c1-3-11(8-9(2)10(13)14)17(15,16)12-6-4-5-7-12/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyJDNOOOVYUMKADX-UHFFFAOYSA-N
XLogP0.37
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-2-methylpropanoic acid (CID 55122811) is 3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)S(=O)(=O)N1CCCC1.
What is the InChIKey of 3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-2-methylpropanoic acid?
The InChIKey is JDNOOOVYUMKADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-3-11(8-9(2)10(13)14)17(15,16)12-6-4-5-7-12/h9H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-2-methylpropanoic acid?
3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-2-methylpropanoic acid has a molecular weight of 264.35 g/mol, XLogP of 0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 55122811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).