methyl 2-methyl-2-[methyl(thiophen-2-yl)amino]propanoate

C10H15NO2S — CID 115128321

IUPACmethyl 2-methyl-2-[methyl(thiophen-2-yl)amino]propanoate
SMILESCOC(=O)C(C)(C)N(C)c1cccs1
InChIInChI=1S/C10H15NO2S/c1-10(2,9(12)13-4)11(3)8-6-5-7-14-8/h5-7H,1-4H3
InChIKeyHZFXZRBRECNDHL-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.14
Rot. Bonds3

About methyl 2-methyl-2-[methyl(thiophen-2-yl)amino]propanoate

methyl 2-methyl-2-[methyl(thiophen-2-yl)amino]propanoate (PubChem CID 115128321) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is methyl 2-methyl-2-[methyl(thiophen-2-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[methyl(thiophen-2-yl)amino]propanoate
PubChem CID115128321
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Namemethyl 2-methyl-2-[methyl(thiophen-2-yl)amino]propanoate
SMILESCOC(=O)C(C)(C)N(C)c1cccs1
InChIInChI=1S/C10H15NO2S/c1-10(2,9(12)13-4)11(3)8-6-5-7-14-8/h5-7H,1-4H3
InChIKeyHZFXZRBRECNDHL-UHFFFAOYSA-N
XLogP2.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(5-chlorothiophen-2-yl)-methylamino]-2-methylpropanoate
CID 115128347
methyl 2-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropanoate
CID 115128348
1,1,3,3-tetrathiophen-2-ylurea
CID 19774771
1,3-dimethyl-1-thiophen-2-ylurea
CID 115168951
3-[methyl(thiophen-2-yl)amino]benzoic acid
CID 117043052
methyl 2,2-dimethyl-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propanoate
CID 79621848
methyl 2-(dimethylamino)-2-thiophen-2-ylbutanoate
CID 10585413
methyl 2-methyl-2-(N,2,4-trimethylanilino)propanoate
CID 115128341
methyl 3-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpropanoate
CID 79619619
methyl 2-(3,4-difluoro-N-methylanilino)-2-methylpropanoate
CID 115128358
methyl 2,3-dimethyl-2-(thiophen-2-ylmethylamino)butanoate
CID 62488456
methyl (2S)-2-[(3,5-dimethylbenzoyl)-methylamino]-2-thiophen-2-ylpropanoate
CID 18663502

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[methyl(thiophen-2-yl)amino]propanoate?
The IUPAC name of methyl 2-methyl-2-[methyl(thiophen-2-yl)amino]propanoate (CID 115128321) is methyl 2-methyl-2-[methyl(thiophen-2-yl)amino]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[methyl(thiophen-2-yl)amino]propanoate?
The canonical SMILES for methyl 2-methyl-2-[methyl(thiophen-2-yl)amino]propanoate is COC(=O)C(C)(C)N(C)c1cccs1.
What is the InChIKey of methyl 2-methyl-2-[methyl(thiophen-2-yl)amino]propanoate?
The InChIKey is HZFXZRBRECNDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-10(2,9(12)13-4)11(3)8-6-5-7-14-8/h5-7H,1-4H3.
What are the key properties of methyl 2-methyl-2-[methyl(thiophen-2-yl)amino]propanoate?
methyl 2-methyl-2-[methyl(thiophen-2-yl)amino]propanoate has a molecular weight of 213.30 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[methyl(thiophen-2-yl)amino]propanoate is sourced from PubChem (CID 115128321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).