3-methoxy-2-(2-thiophen-2-ylethylamino)propanoic acid

C10H15NO3S — CID 103235533

IUPAC3-methoxy-2-(2-thiophen-2-ylethylamino)propanoic acid
SMILESCOCC(NCCc1cccs1)C(=O)O
InChIInChI=1S/C10H15NO3S/c1-14-7-9(10(12)13)11-5-4-8-3-2-6-15-8/h2-3,6,9,11H,4-5,7H2,1H3,(H,12,13)
InChIKeyNZBRFRIXGHANLQ-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.98
Rot. Bonds7

About 3-methoxy-2-(2-thiophen-2-ylethylamino)propanoic acid

3-methoxy-2-(2-thiophen-2-ylethylamino)propanoic acid (PubChem CID 103235533) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 3-methoxy-2-(2-thiophen-2-ylethylamino)propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-(2-thiophen-2-ylethylamino)propanoic acid
PubChem CID103235533
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name3-methoxy-2-(2-thiophen-2-ylethylamino)propanoic acid
SMILESCOCC(NCCc1cccs1)C(=O)O
InChIInChI=1S/C10H15NO3S/c1-14-7-9(10(12)13)11-5-4-8-3-2-6-15-8/h2-3,6,9,11H,4-5,7H2,1H3,(H,12,13)
InChIKeyNZBRFRIXGHANLQ-UHFFFAOYSA-N
XLogP0.98
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-2-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid
CID 103251820
(2S)-1-methoxy-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 94472999
3-methoxy-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]propanoic acid
CID 103257586
(2R)-2-(2-thiophen-2-ylethoxy)propanoic acid
CID 104875253
3-methoxy-2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid
CID 103224820
4-chloro-1-methoxy-N-(2-thiophen-2-ylethyl)butan-2-amine
CID 106152704
4-methoxy-4-methyl-2-(thiophen-2-ylmethylamino)pentanoic acid
CID 106675991
N-pentan-3-yl-2-(2-thiophen-2-ylethylamino)propanamide
CID 43112690
1-[(2S)-1-methoxy-3-phenylpropan-2-yl]-1-methyl-3-(2-thiophen-2-ylethyl)urea
CID 124843918
N-tert-butyl-2-(2-thiophen-2-ylethylamino)propanamide
CID 43087974
2-amino-2-phenyl-N-(2-thiophen-2-ylethyl)acetamide
CID 24704735
methyl 2,2-dimethyl-3-(2-thiophen-2-ylethylamino)propanoate
CID 79629616

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(2-thiophen-2-ylethylamino)propanoic acid?
The IUPAC name of 3-methoxy-2-(2-thiophen-2-ylethylamino)propanoic acid (CID 103235533) is 3-methoxy-2-(2-thiophen-2-ylethylamino)propanoic acid.
What is the SMILES notation for 3-methoxy-2-(2-thiophen-2-ylethylamino)propanoic acid?
The canonical SMILES for 3-methoxy-2-(2-thiophen-2-ylethylamino)propanoic acid is COCC(NCCc1cccs1)C(=O)O.
What is the InChIKey of 3-methoxy-2-(2-thiophen-2-ylethylamino)propanoic acid?
The InChIKey is NZBRFRIXGHANLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-14-7-9(10(12)13)11-5-4-8-3-2-6-15-8/h2-3,6,9,11H,4-5,7H2,1H3,(H,12,13).
What are the key properties of 3-methoxy-2-(2-thiophen-2-ylethylamino)propanoic acid?
3-methoxy-2-(2-thiophen-2-ylethylamino)propanoic acid has a molecular weight of 229.30 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(2-thiophen-2-ylethylamino)propanoic acid is sourced from PubChem (CID 103235533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).