methyl 3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]propanoate

C10H20N2O4S — CID 54899653

IUPACmethyl 3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]propanoate
SMILESCCN(CCC(=O)OC)S(=O)(=O)N1CCCC1
InChIInChI=1S/C10H20N2O4S/c1-3-11(9-6-10(13)16-2)17(14,15)12-7-4-5-8-12/h3-9H2,1-2H3
InChIKeyPCKFOJQYUPWOBQ-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.21
Rot. Bonds6

About methyl 3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]propanoate

methyl 3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]propanoate (PubChem CID 54899653) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is methyl 3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]propanoate
PubChem CID54899653
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Namemethyl 3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]propanoate
SMILESCCN(CCC(=O)OC)S(=O)(=O)N1CCCC1
InChIInChI=1S/C10H20N2O4S/c1-3-11(9-6-10(13)16-2)17(14,15)12-7-4-5-8-12/h3-9H2,1-2H3
InChIKeyPCKFOJQYUPWOBQ-UHFFFAOYSA-N
XLogP0.21
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]propanoate?
The IUPAC name of methyl 3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]propanoate (CID 54899653) is methyl 3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]propanoate?
The canonical SMILES for methyl 3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]propanoate is CCN(CCC(=O)OC)S(=O)(=O)N1CCCC1.
What is the InChIKey of methyl 3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]propanoate?
The InChIKey is PCKFOJQYUPWOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-3-11(9-6-10(13)16-2)17(14,15)12-7-4-5-8-12/h3-9H2,1-2H3.
What are the key properties of methyl 3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]propanoate?
methyl 3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]propanoate has a molecular weight of 264.35 g/mol, XLogP of 0.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]propanoate is sourced from PubChem (CID 54899653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).