methyl 3-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-thiophen-2-ylpropanoate

C14H22N2O3S — CID 62852003

IUPACmethyl 3-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-thiophen-2-ylpropanoate
SMILESCCNCC(C)C(=O)NC(CC(=O)OC)c1cccs1
InChIInChI=1S/C14H22N2O3S/c1-4-15-9-10(2)14(18)16-11(8-13(17)19-3)12-6-5-7-20-12/h5-7,10-11,15H,4,8-9H2,1-3H3,(H,16,18)
InChIKeyCLCCYVQHKHCTAE-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.71
Rot. Bonds8

About methyl 3-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-thiophen-2-ylpropanoate

methyl 3-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-thiophen-2-ylpropanoate (PubChem CID 62852003) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is methyl 3-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-thiophen-2-ylpropanoate
PubChem CID62852003
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Namemethyl 3-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-thiophen-2-ylpropanoate
SMILESCCNCC(C)C(=O)NC(CC(=O)OC)c1cccs1
InChIInChI=1S/C14H22N2O3S/c1-4-15-9-10(2)14(18)16-11(8-13(17)19-3)12-6-5-7-20-12/h5-7,10-11,15H,4,8-9H2,1-3H3,(H,16,18)
InChIKeyCLCCYVQHKHCTAE-UHFFFAOYSA-N
XLogP1.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-(2-methylsulfanylpropanoylamino)-3-thiophen-2-ylpropanoate
CID 47031380
methyl 3-(2-bromobutanoylamino)-3-thiophen-2-ylpropanoate
CID 62855580
methyl 3-[2-(4-bromophenoxy)propanoylamino]-3-thiophen-2-ylpropanoate
CID 46538767
methyl 3-(3-methylpentan-2-ylamino)-3-thiophen-2-ylpropanoate
CID 43724906
methyl 3-[2-(2-chlorophenoxy)propanoylamino]-3-thiophen-2-ylpropanoate
CID 134043484
methyl 3-(but-2-enoylamino)-3-thiophen-2-ylpropanoate
CID 112723868
2-methyl-3-(methylamino)-N-(1-thiophen-2-ylbutyl)propanamide
CID 79203080
methyl 3-[(4-ethoxybenzoyl)amino]-3-thiophen-2-ylpropanoate
CID 51112274
methyl 3-[[4-(ethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate
CID 46534149

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-thiophen-2-ylpropanoate?
The IUPAC name of methyl 3-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-thiophen-2-ylpropanoate (CID 62852003) is methyl 3-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-thiophen-2-ylpropanoate.
What is the SMILES notation for methyl 3-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-thiophen-2-ylpropanoate?
The canonical SMILES for methyl 3-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-thiophen-2-ylpropanoate is CCNCC(C)C(=O)NC(CC(=O)OC)c1cccs1.
What is the InChIKey of methyl 3-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-thiophen-2-ylpropanoate?
The InChIKey is CLCCYVQHKHCTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-4-15-9-10(2)14(18)16-11(8-13(17)19-3)12-6-5-7-20-12/h5-7,10-11,15H,4,8-9H2,1-3H3,(H,16,18).
What are the key properties of methyl 3-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-thiophen-2-ylpropanoate?
methyl 3-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-thiophen-2-ylpropanoate has a molecular weight of 298.41 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 62852003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).