3-methoxy-2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid

C11H17NO3S — CID 103224820

IUPAC3-methoxy-2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid
SMILESCOCC(C(=O)O)N(C)CCc1cccs1
InChIInChI=1S/C11H17NO3S/c1-12(10(8-15-2)11(13)14)6-5-9-4-3-7-16-9/h3-4,7,10H,5-6,8H2,1-2H3,(H,13,14)
InChIKeyUJORTSYWYKCSBY-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.32
Rot. Bonds7

About 3-methoxy-2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid

3-methoxy-2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid (PubChem CID 103224820) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 3-methoxy-2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid
PubChem CID103224820
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name3-methoxy-2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid
SMILESCOCC(C(=O)O)N(C)CCc1cccs1
InChIInChI=1S/C11H17NO3S/c1-12(10(8-15-2)11(13)14)6-5-9-4-3-7-16-9/h3-4,7,10H,5-6,8H2,1-2H3,(H,13,14)
InChIKeyUJORTSYWYKCSBY-UHFFFAOYSA-N
XLogP1.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid
CID 63773850
2-amino-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 120991220
2-bromo-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 80690433
3-methoxy-2-(2-thiophen-2-ylethylamino)propanoic acid
CID 103235533
(2R)-2-(2-thiophen-2-ylethoxy)propanoic acid
CID 104875253
methyl 4-[methyl(2-thiophen-2-ylethyl)amino]-4-oxobutanoate
CID 110733429
2-amino-3-methoxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 81081754
2-[methyl-[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]propanoic acid
CID 79487976
3-methyl-2-[methyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 43527695
5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid
CID 79476519
(2S)-3-methyl-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]butanoic acid
CID 79486957
N-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
CID 107032192

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid?
The IUPAC name of 3-methoxy-2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid (CID 103224820) is 3-methoxy-2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid?
The canonical SMILES for 3-methoxy-2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid is COCC(C(=O)O)N(C)CCc1cccs1.
What is the InChIKey of 3-methoxy-2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid?
The InChIKey is UJORTSYWYKCSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-12(10(8-15-2)11(13)14)6-5-9-4-3-7-16-9/h3-4,7,10H,5-6,8H2,1-2H3,(H,13,14).
What are the key properties of 3-methoxy-2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid?
3-methoxy-2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid has a molecular weight of 243.33 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid is sourced from PubChem (CID 103224820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).