methyl 2-[cyclopentyl(thiophene-2-carbonyl)amino]acetate

C13H17NO3S — CID 80709531

IUPACmethyl 2-[cyclopentyl(thiophene-2-carbonyl)amino]acetate
SMILESCOC(=O)CN(C(=O)c1cccs1)C1CCCC1
InChIInChI=1S/C13H17NO3S/c1-17-12(15)9-14(10-5-2-3-6-10)13(16)11-7-4-8-18-11/h4,7-8,10H,2-3,5-6,9H2,1H3
InChIKeyUNNPUXUDFOLISJ-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.31
Rot. Bonds4

About methyl 2-[cyclopentyl(thiophene-2-carbonyl)amino]acetate

methyl 2-[cyclopentyl(thiophene-2-carbonyl)amino]acetate (PubChem CID 80709531) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is methyl 2-[cyclopentyl(thiophene-2-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl(thiophene-2-carbonyl)amino]acetate
PubChem CID80709531
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Namemethyl 2-[cyclopentyl(thiophene-2-carbonyl)amino]acetate
SMILESCOC(=O)CN(C(=O)c1cccs1)C1CCCC1
InChIInChI=1S/C13H17NO3S/c1-17-12(15)9-14(10-5-2-3-6-10)13(16)11-7-4-8-18-11/h4,7-8,10H,2-3,5-6,9H2,1H3
InChIKeyUNNPUXUDFOLISJ-UHFFFAOYSA-N
XLogP2.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentyl(thiophene-2-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl(thiophene-2-carbonyl)amino]acetate (CID 80709531) is methyl 2-[cyclopentyl(thiophene-2-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl(thiophene-2-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl(thiophene-2-carbonyl)amino]acetate is COC(=O)CN(C(=O)c1cccs1)C1CCCC1.
What is the InChIKey of methyl 2-[cyclopentyl(thiophene-2-carbonyl)amino]acetate?
The InChIKey is UNNPUXUDFOLISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-17-12(15)9-14(10-5-2-3-6-10)13(16)11-7-4-8-18-11/h4,7-8,10H,2-3,5-6,9H2,1H3.
What are the key properties of methyl 2-[cyclopentyl(thiophene-2-carbonyl)amino]acetate?
methyl 2-[cyclopentyl(thiophene-2-carbonyl)amino]acetate has a molecular weight of 267.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl(thiophene-2-carbonyl)amino]acetate is sourced from PubChem (CID 80709531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).