methyl 2-[cyclopentyl(thiophene-3-carbonyl)amino]acetate

C13H17NO3S — CID 71849310

IUPACmethyl 2-[cyclopentyl(thiophene-3-carbonyl)amino]acetate
SMILESCOC(=O)CN(C(=O)c1ccsc1)C1CCCC1
InChIInChI=1S/C13H17NO3S/c1-17-12(15)8-14(11-4-2-3-5-11)13(16)10-6-7-18-9-10/h6-7,9,11H,2-5,8H2,1H3
InChIKeyOKFXHQWJVHEDLD-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.31
Rot. Bonds4

About methyl 2-[cyclopentyl(thiophene-3-carbonyl)amino]acetate

methyl 2-[cyclopentyl(thiophene-3-carbonyl)amino]acetate (PubChem CID 71849310) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is methyl 2-[cyclopentyl(thiophene-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl(thiophene-3-carbonyl)amino]acetate
PubChem CID71849310
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Namemethyl 2-[cyclopentyl(thiophene-3-carbonyl)amino]acetate
SMILESCOC(=O)CN(C(=O)c1ccsc1)C1CCCC1
InChIInChI=1S/C13H17NO3S/c1-17-12(15)8-14(11-4-2-3-5-11)13(16)10-6-7-18-9-10/h6-7,9,11H,2-5,8H2,1H3
InChIKeyOKFXHQWJVHEDLD-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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Related Compounds

methyl N-methyl-N-(thiophene-3-carbonyl)glycinate
CID 43407716
methyl N-(propan-2-yl)-N-(thiophene-3-carbonyl)glycinate
CID 55028598
N-cyclohexyl-N-ethylthiophene-3-carboxamide
CID 45802613
Methyl 2-methyl-2-(thiophene-3-carbonylamino)propanoate
CID 43074365
Methyl 3-methyl-2-(thiophene-3-carbonylamino)butanoate
CID 43422585
methyl (2S)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylate
CID 11402187
1-(3-Thienylcarbonyl)-L-proline
CID 30048572
(2-Methylpyrrolidin-1-yl)-thiophen-3-ylmethanone
CID 18711909
Methyl 2-(thiophene-3-carbonylamino)acetate
CID 19427295
Methyl 2-[(2-methylsulfanylthiophene-3-carbonyl)amino]acetate
CID 19985479
N,N-di(propan-2-yl)thiophene-3-carboxamide
CID 50896326
Methyl N-(thiophene-3-carbonyl)alaninate
CID 60656692

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentyl(thiophene-3-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl(thiophene-3-carbonyl)amino]acetate (CID 71849310) is methyl 2-[cyclopentyl(thiophene-3-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl(thiophene-3-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl(thiophene-3-carbonyl)amino]acetate is COC(=O)CN(C(=O)c1ccsc1)C1CCCC1.
What is the InChIKey of methyl 2-[cyclopentyl(thiophene-3-carbonyl)amino]acetate?
The InChIKey is OKFXHQWJVHEDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-17-12(15)8-14(11-4-2-3-5-11)13(16)10-6-7-18-9-10/h6-7,9,11H,2-5,8H2,1H3.
What are the key properties of methyl 2-[cyclopentyl(thiophene-3-carbonyl)amino]acetate?
methyl 2-[cyclopentyl(thiophene-3-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-3-carbonyl)amino]acetate is sourced from PubChem (CID 71849310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).