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

C13H21NO3S — CID 65067405

IUPAC2-[2-methoxyethyl-(2-methyl-1-thiophen-2-ylpropyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(c1cccs1)C(C)C
InChIInChI=1S/C13H21NO3S/c1-10(2)13(11-5-4-8-18-11)14(6-7-17-3)9-12(15)16/h4-5,8,10,13H,6-7,9H2,1-3H3,(H,15,16)
InChIKeyAVCWZTAZNHFDNI-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.48
Rot. Bonds8

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

2-[2-methoxyethyl-(2-methyl-1-thiophen-2-ylpropyl)amino]acetic acid (PubChem CID 65067405) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-[2-methoxyethyl-(2-methyl-1-thiophen-2-ylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-(2-methyl-1-thiophen-2-ylpropyl)amino]acetic acid
PubChem CID65067405
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name2-[2-methoxyethyl-(2-methyl-1-thiophen-2-ylpropyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(c1cccs1)C(C)C
InChIInChI=1S/C13H21NO3S/c1-10(2)13(11-5-4-8-18-11)14(6-7-17-3)9-12(15)16/h4-5,8,10,13H,6-7,9H2,1-3H3,(H,15,16)
InChIKeyAVCWZTAZNHFDNI-UHFFFAOYSA-N
XLogP2.48
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-(2-methyl-1-thiophen-2-ylpropyl)amino]acetic acid
CID 65056388
2-[2-methoxyethyl-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]amino]acetic acid
CID 79270902
2-[carboxymethyl(1-thiophen-2-ylethyl)amino]acetic acid
CID 65065392
1-N,1-N-bis(2-methoxyethyl)-1-thiophen-2-ylpropane-1,2-diamine
CID 55021667
3-[tert-butyl-(2-methyl-1-thiophen-2-ylpropyl)amino]propanoic acid
CID 65058621
2-[2-hydroxyethyl(2-methoxyethyl)amino]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 115613728
2-[4-methoxybutan-2-yl(2-methoxyethyl)amino]acetic acid
CID 65067403
2-amino-N-benzyl-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide
CID 115286511
2-[butan-2-yl(thiophen-2-ylmethyl)amino]acetic acid
CID 60833114
5-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62965242
N'-benzyl-N'-(2-methyl-1-thiophen-2-ylpropyl)propane-1,3-diamine
CID 107364937
2-[prop-2-enyl(1-thiophen-2-ylpropyl)amino]acetic acid
CID 79284969

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-(2-methyl-1-thiophen-2-ylpropyl)amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-(2-methyl-1-thiophen-2-ylpropyl)amino]acetic acid (CID 65067405) is 2-[2-methoxyethyl-(2-methyl-1-thiophen-2-ylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-(2-methyl-1-thiophen-2-ylpropyl)amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-(2-methyl-1-thiophen-2-ylpropyl)amino]acetic acid is COCCN(CC(=O)O)C(c1cccs1)C(C)C.
What is the InChIKey of 2-[2-methoxyethyl-(2-methyl-1-thiophen-2-ylpropyl)amino]acetic acid?
The InChIKey is AVCWZTAZNHFDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-10(2)13(11-5-4-8-18-11)14(6-7-17-3)9-12(15)16/h4-5,8,10,13H,6-7,9H2,1-3H3,(H,15,16).
What are the key properties of 2-[2-methoxyethyl-(2-methyl-1-thiophen-2-ylpropyl)amino]acetic acid?
2-[2-methoxyethyl-(2-methyl-1-thiophen-2-ylpropyl)amino]acetic acid has a molecular weight of 271.38 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-(2-methyl-1-thiophen-2-ylpropyl)amino]acetic acid is sourced from PubChem (CID 65067405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).