methyl 3-(3-methylpentan-2-ylamino)-3-thiophen-2-ylpropanoate

C14H23NO2S — CID 43724906

IUPACmethyl 3-(3-methylpentan-2-ylamino)-3-thiophen-2-ylpropanoate
SMILESCCC(C)C(C)NC(CC(=O)OC)c1cccs1
InChIInChI=1S/C14H23NO2S/c1-5-10(2)11(3)15-12(9-14(16)17-4)13-7-6-8-18-13/h6-8,10-12,15H,5,9H2,1-4H3
InChIKeyKZILPLRTEJPDMH-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.38
Rot. Bonds7

About methyl 3-(3-methylpentan-2-ylamino)-3-thiophen-2-ylpropanoate

methyl 3-(3-methylpentan-2-ylamino)-3-thiophen-2-ylpropanoate (PubChem CID 43724906) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is methyl 3-(3-methylpentan-2-ylamino)-3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-(3-methylpentan-2-ylamino)-3-thiophen-2-ylpropanoate
PubChem CID43724906
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Namemethyl 3-(3-methylpentan-2-ylamino)-3-thiophen-2-ylpropanoate
SMILESCCC(C)C(C)NC(CC(=O)OC)c1cccs1
InChIInChI=1S/C14H23NO2S/c1-5-10(2)11(3)15-12(9-14(16)17-4)13-7-6-8-18-13/h6-8,10-12,15H,5,9H2,1-4H3
InChIKeyKZILPLRTEJPDMH-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[1-(2-hydroxyphenyl)ethylamino]-3-thiophen-2-ylpropanoate
CID 43725033
methyl 3-(1-methylsulfonylpropan-2-ylamino)-3-thiophen-2-ylpropanoate
CID 64630549
methyl 3-(1-cyclopropylpropan-2-ylamino)-3-thiophen-2-ylpropanoate
CID 113489791
methyl 3-(cyclopropylamino)-3-thiophen-2-ylpropanoate
CID 103439049
methyl 3-(2-bromobutanoylamino)-3-thiophen-2-ylpropanoate
CID 62855580
methyl 3-[(3-chloro-2-methylpropanoyl)amino]-3-thiophen-2-ylpropanoate
CID 62728678
methyl 3-(2-bromopropanoylamino)-3-thiophen-2-ylpropanoate
CID 107903839
3-[(3-methoxy-3-oxo-1-thiophen-2-ylpropyl)amino]-2-methyl-3-oxopropanoic acid
CID 114897987
methyl 3-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-thiophen-2-ylpropanoate
CID 62852003
3-(3-methylbutan-2-ylamino)-3-thiophen-2-ylpropanoic acid
CID 43727724
methyl 3-(2-methylsulfanylpropanoylamino)-3-thiophen-2-ylpropanoate
CID 47031380
methyl 3-(1-thiophen-2-ylpropylamino)propanoate
CID 43139675

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-methylpentan-2-ylamino)-3-thiophen-2-ylpropanoate?
The IUPAC name of methyl 3-(3-methylpentan-2-ylamino)-3-thiophen-2-ylpropanoate (CID 43724906) is methyl 3-(3-methylpentan-2-ylamino)-3-thiophen-2-ylpropanoate.
What is the SMILES notation for methyl 3-(3-methylpentan-2-ylamino)-3-thiophen-2-ylpropanoate?
The canonical SMILES for methyl 3-(3-methylpentan-2-ylamino)-3-thiophen-2-ylpropanoate is CCC(C)C(C)NC(CC(=O)OC)c1cccs1.
What is the InChIKey of methyl 3-(3-methylpentan-2-ylamino)-3-thiophen-2-ylpropanoate?
The InChIKey is KZILPLRTEJPDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-5-10(2)11(3)15-12(9-14(16)17-4)13-7-6-8-18-13/h6-8,10-12,15H,5,9H2,1-4H3.
What are the key properties of methyl 3-(3-methylpentan-2-ylamino)-3-thiophen-2-ylpropanoate?
methyl 3-(3-methylpentan-2-ylamino)-3-thiophen-2-ylpropanoate has a molecular weight of 269.41 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-methylpentan-2-ylamino)-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 43724906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).