methyl 2-methyl-3-[methyl(thiophen-3-ylmethyl)amino]butanoate

C12H19NO2S — CID 79407741

IUPACmethyl 2-methyl-3-[methyl(thiophen-3-ylmethyl)amino]butanoate
SMILESCOC(=O)C(C)C(C)N(C)Cc1ccsc1
InChIInChI=1S/C12H19NO2S/c1-9(12(14)15-4)10(2)13(3)7-11-5-6-16-8-11/h5-6,8-10H,7H2,1-4H3
InChIKeyWPYRMTPBPUIIOG-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.38
Rot. Bonds5

About methyl 2-methyl-3-[methyl(thiophen-3-ylmethyl)amino]butanoate

methyl 2-methyl-3-[methyl(thiophen-3-ylmethyl)amino]butanoate (PubChem CID 79407741) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl(thiophen-3-ylmethyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl(thiophen-3-ylmethyl)amino]butanoate
PubChem CID79407741
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Namemethyl 2-methyl-3-[methyl(thiophen-3-ylmethyl)amino]butanoate
SMILESCOC(=O)C(C)C(C)N(C)Cc1ccsc1
InChIInChI=1S/C12H19NO2S/c1-9(12(14)15-4)10(2)13(3)7-11-5-6-16-8-11/h5-6,8-10H,7H2,1-4H3
InChIKeyWPYRMTPBPUIIOG-UHFFFAOYSA-N
XLogP2.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(thiophen-3-ylmethyl)amino]propanehydrazide
CID 55215186
methyl N-[(2S)-2-[methyl(thiophen-3-ylmethyl)amino]propanoyl]carbamate
CID 8925835
methyl 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanoate
CID 79406364
methyl 3-[(4-fluorophenyl)methyl-methylamino]-2-methylbutanoate
CID 79406233
(2S)-N-methyl-2-[methyl(thiophen-3-ylmethyl)amino]propanamide
CID 8925628
ethyl 2-[methyl(thiophen-3-ylmethyl)amino]butanoate
CID 64660856
methyl (2S,3R)-2-methyl-3-[(2-thiophen-3-ylacetyl)sulfamoyl]butanoate
CID 124841964
1-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)urea
CID 53016506
methyl 3-[(2-fluorophenyl)methyl-methylamino]-2-methylbutanoate
CID 79406108
methyl 2-methyl-3-[methyl(2-phenylethyl)amino]butanoate
CID 79414965
3-amino-2-methoxy-N-methyl-N-(thiophen-3-ylmethyl)propanamide
CID 106111308
ethyl 3-[benzyl(methyl)amino]-2-methylbutanoate
CID 162687102

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl(thiophen-3-ylmethyl)amino]butanoate?
The IUPAC name of methyl 2-methyl-3-[methyl(thiophen-3-ylmethyl)amino]butanoate (CID 79407741) is methyl 2-methyl-3-[methyl(thiophen-3-ylmethyl)amino]butanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl(thiophen-3-ylmethyl)amino]butanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl(thiophen-3-ylmethyl)amino]butanoate is COC(=O)C(C)C(C)N(C)Cc1ccsc1.
What is the InChIKey of methyl 2-methyl-3-[methyl(thiophen-3-ylmethyl)amino]butanoate?
The InChIKey is WPYRMTPBPUIIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-9(12(14)15-4)10(2)13(3)7-11-5-6-16-8-11/h5-6,8-10H,7H2,1-4H3.
What are the key properties of methyl 2-methyl-3-[methyl(thiophen-3-ylmethyl)amino]butanoate?
methyl 2-methyl-3-[methyl(thiophen-3-ylmethyl)amino]butanoate has a molecular weight of 241.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl(thiophen-3-ylmethyl)amino]butanoate is sourced from PubChem (CID 79407741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).