methyl 2-[cyclopentyl-[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]acetate

C15H21NO4S — CID 80718187

IUPACmethyl 2-[cyclopentyl-[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]acetate
SMILESCOC(=O)CN(C(=O)c1ccc(CSC)o1)C1CCCC1
InChIInChI=1S/C15H21NO4S/c1-19-14(17)9-16(11-5-3-4-6-11)15(18)13-8-7-12(20-13)10-21-2/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyWCQUEFTZJGFFFY-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.70
Rot. Bonds6

About methyl 2-[cyclopentyl-[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]acetate

methyl 2-[cyclopentyl-[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]acetate (PubChem CID 80718187) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is methyl 2-[cyclopentyl-[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl-[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]acetate
PubChem CID80718187
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Namemethyl 2-[cyclopentyl-[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]acetate
SMILESCOC(=O)CN(C(=O)c1ccc(CSC)o1)C1CCCC1
InChIInChI=1S/C15H21NO4S/c1-19-14(17)9-16(11-5-3-4-6-11)15(18)13-8-7-12(20-13)10-21-2/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyWCQUEFTZJGFFFY-UHFFFAOYSA-N
XLogP2.70
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentyl-[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl-[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]acetate (CID 80718187) is methyl 2-[cyclopentyl-[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl-[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl-[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]acetate is COC(=O)CN(C(=O)c1ccc(CSC)o1)C1CCCC1.
What is the InChIKey of methyl 2-[cyclopentyl-[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]acetate?
The InChIKey is WCQUEFTZJGFFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-19-14(17)9-16(11-5-3-4-6-11)15(18)13-8-7-12(20-13)10-21-2/h7-8,11H,3-6,9-10H2,1-2H3.
What are the key properties of methyl 2-[cyclopentyl-[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]acetate?
methyl 2-[cyclopentyl-[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]acetate has a molecular weight of 311.40 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl-[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]acetate is sourced from PubChem (CID 80718187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).