methyl 4-methyl-2-(1-thiophen-3-ylethylamino)pentanoate

C13H21NO2S — CID 62091746

IUPACmethyl 4-methyl-2-(1-thiophen-3-ylethylamino)pentanoate
SMILESCOC(=O)C(CC(C)C)NC(C)c1ccsc1
InChIInChI=1S/C13H21NO2S/c1-9(2)7-12(13(15)16-4)14-10(3)11-5-6-17-8-11/h5-6,8-10,12,14H,7H2,1-4H3
InChIKeyVFZIZFVNUIRBEZ-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.99
Rot. Bonds6

About methyl 4-methyl-2-(1-thiophen-3-ylethylamino)pentanoate

methyl 4-methyl-2-(1-thiophen-3-ylethylamino)pentanoate (PubChem CID 62091746) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is methyl 4-methyl-2-(1-thiophen-3-ylethylamino)pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-(1-thiophen-3-ylethylamino)pentanoate
PubChem CID62091746
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Namemethyl 4-methyl-2-(1-thiophen-3-ylethylamino)pentanoate
SMILESCOC(=O)C(CC(C)C)NC(C)c1ccsc1
InChIInChI=1S/C13H21NO2S/c1-9(2)7-12(13(15)16-4)14-10(3)11-5-6-17-8-11/h5-6,8-10,12,14H,7H2,1-4H3
InChIKeyVFZIZFVNUIRBEZ-UHFFFAOYSA-N
XLogP2.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-methyl-2-(1-thiophen-3-ylethylamino)pentanoate
CID 62089111
methyl 4-methyl-2-(thiophene-3-carbonylamino)pentanoate
CID 43406132
methyl 2-[1-(4-cyanophenyl)ethylamino]-4-methylpentanoate
CID 43689035
methyl 2-[1-(3-methoxyphenyl)ethylamino]-4-methylpentanoate
CID 43689061
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
methyl 2-(2-methylpropylamino)-2-thiophen-3-ylacetate
CID 61002769
methyl 2-bromo-3-(1-thiophen-3-ylethylamino)propanoate
CID 103249721
methyl (2R)-4-methyl-2-(3-thiophen-3-ylprop-2-enoylamino)pentanoate
CID 66772462
methyl 4-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate
CID 43689060
methyl 3-amino-2-thiophen-3-ylpropanoate
CID 19756646
methyl 4-methyl-2-(propan-2-ylamino)pentanoate
CID 43230583
methyl (2S)-2-bromo-2-thiophen-3-ylacetate
CID 99645005

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-(1-thiophen-3-ylethylamino)pentanoate?
The IUPAC name of methyl 4-methyl-2-(1-thiophen-3-ylethylamino)pentanoate (CID 62091746) is methyl 4-methyl-2-(1-thiophen-3-ylethylamino)pentanoate.
What is the SMILES notation for methyl 4-methyl-2-(1-thiophen-3-ylethylamino)pentanoate?
The canonical SMILES for methyl 4-methyl-2-(1-thiophen-3-ylethylamino)pentanoate is COC(=O)C(CC(C)C)NC(C)c1ccsc1.
What is the InChIKey of methyl 4-methyl-2-(1-thiophen-3-ylethylamino)pentanoate?
The InChIKey is VFZIZFVNUIRBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-9(2)7-12(13(15)16-4)14-10(3)11-5-6-17-8-11/h5-6,8-10,12,14H,7H2,1-4H3.
What are the key properties of methyl 4-methyl-2-(1-thiophen-3-ylethylamino)pentanoate?
methyl 4-methyl-2-(1-thiophen-3-ylethylamino)pentanoate has a molecular weight of 255.38 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-(1-thiophen-3-ylethylamino)pentanoate is sourced from PubChem (CID 62091746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).