2-[methyl-(2-methyl-1-thiophen-2-ylpropyl)amino]acetic acid

C11H17NO2S — CID 65056388

IUPAC2-[methyl-(2-methyl-1-thiophen-2-ylpropyl)amino]acetic acid
SMILESCC(C)C(c1cccs1)N(C)CC(=O)O
InChIInChI=1S/C11H17NO2S/c1-8(2)11(9-5-4-6-15-9)12(3)7-10(13)14/h4-6,8,11H,7H2,1-3H3,(H,13,14)
InChIKeyHKONZWLSYVRTSN-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.46
Rot. Bonds5

About 2-[methyl-(2-methyl-1-thiophen-2-ylpropyl)amino]acetic acid

2-[methyl-(2-methyl-1-thiophen-2-ylpropyl)amino]acetic acid (PubChem CID 65056388) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-[methyl-(2-methyl-1-thiophen-2-ylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(2-methyl-1-thiophen-2-ylpropyl)amino]acetic acid
PubChem CID65056388
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name2-[methyl-(2-methyl-1-thiophen-2-ylpropyl)amino]acetic acid
SMILESCC(C)C(c1cccs1)N(C)CC(=O)O
InChIInChI=1S/C11H17NO2S/c1-8(2)11(9-5-4-6-15-9)12(3)7-10(13)14/h4-6,8,11H,7H2,1-3H3,(H,13,14)
InChIKeyHKONZWLSYVRTSN-UHFFFAOYSA-N
XLogP2.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-methoxyethyl-(2-methyl-1-thiophen-2-ylpropyl)amino]acetic acid
CID 65067405
2-[carboxymethyl(1-thiophen-2-ylethyl)amino]acetic acid
CID 65065392
3-[tert-butyl-(2-methyl-1-thiophen-2-ylpropyl)amino]propanoic acid
CID 65058621
2-[(2-amino-2-thiophen-2-ylacetyl)-methylamino]acetic acid
CID 115286833
1-[methyl(1-thiophen-2-ylethyl)amino]butan-2-one
CID 62040161
methyl 2-[methyl(1-thiophen-2-ylethyl)amino]acetate
CID 60699787
4,4,4-trifluoro-3-[methyl(1-thiophen-2-ylethyl)amino]butanoic acid
CID 63068842
1-[methyl(1-thiophen-2-ylethyl)amino]-3-phenylpropan-2-one
CID 62051873
2-[methyl-(2-piperazin-1-yl-1-thiophen-2-ylethyl)amino]acetic acid
CID 82201749
2-[methyl-[(1R)-1-phenylethyl]amino]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 51730175
4-[methyl(1-thiophen-2-ylethyl)amino]pentanoic acid
CID 62214541
3-[methyl(1-thiophen-2-ylethyl)amino]-2-phenylpropanoic acid
CID 63068999

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-methyl-1-thiophen-2-ylpropyl)amino]acetic acid?
The IUPAC name of 2-[methyl-(2-methyl-1-thiophen-2-ylpropyl)amino]acetic acid (CID 65056388) is 2-[methyl-(2-methyl-1-thiophen-2-ylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(2-methyl-1-thiophen-2-ylpropyl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(2-methyl-1-thiophen-2-ylpropyl)amino]acetic acid is CC(C)C(c1cccs1)N(C)CC(=O)O.
What is the InChIKey of 2-[methyl-(2-methyl-1-thiophen-2-ylpropyl)amino]acetic acid?
The InChIKey is HKONZWLSYVRTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-8(2)11(9-5-4-6-15-9)12(3)7-10(13)14/h4-6,8,11H,7H2,1-3H3,(H,13,14).
What are the key properties of 2-[methyl-(2-methyl-1-thiophen-2-ylpropyl)amino]acetic acid?
2-[methyl-(2-methyl-1-thiophen-2-ylpropyl)amino]acetic acid has a molecular weight of 227.33 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-methyl-1-thiophen-2-ylpropyl)amino]acetic acid is sourced from PubChem (CID 65056388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).