2-[1-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclopropyl]acetic acid

C13H19NO2S — CID 65497379

IUPAC2-[1-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclopropyl]acetic acid
SMILESCCN(Cc1cccs1)CC1(CC(=O)O)CC1
InChIInChI=1S/C13H19NO2S/c1-2-14(9-11-4-3-7-17-11)10-13(5-6-13)8-12(15)16/h3-4,7H,2,5-6,8-10H2,1H3,(H,15,16)
InChIKeyWOPLNFKFEUNAHX-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.82
Rot. Bonds7

About 2-[1-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclopropyl]acetic acid

2-[1-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclopropyl]acetic acid (PubChem CID 65497379) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-[1-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclopropyl]acetic acid
PubChem CID65497379
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name2-[1-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclopropyl]acetic acid
SMILESCCN(Cc1cccs1)CC1(CC(=O)O)CC1
InChIInChI=1S/C13H19NO2S/c1-2-14(9-11-4-3-7-17-11)10-13(5-6-13)8-12(15)16/h3-4,7H,2,5-6,8-10H2,1H3,(H,15,16)
InChIKeyWOPLNFKFEUNAHX-UHFFFAOYSA-N
XLogP2.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[benzyl(ethyl)amino]methyl]cyclopropyl]acetic acid
CID 65497581
3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]oxane-3-carboxylic acid
CID 63745377
2-[1-(2-thiophen-2-ylethoxymethyl)cyclopropyl]acetic acid
CID 65497413
N-[(4-methylpiperidin-4-yl)methyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 63122818
1-cyclopropyl-2-[ethyl(thiophen-2-ylmethyl)amino]ethanone
CID 63914335
2-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]acetic acid
CID 107425908
2-[pentyl(thiophen-2-ylmethyl)amino]acetic acid
CID 175704817
2-[butan-2-yl(thiophen-2-ylmethyl)amino]acetic acid
CID 60833114
2-[1-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79842228
5-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpentanoic acid
CID 65254843
2-[2-[ethyl(thiophen-2-ylmethyl)amino]ethoxy]benzoic acid
CID 61436692
3-[5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]thiophen-3-yl]prop-2-enoic acid
CID 76918900

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclopropyl]acetic acid (CID 65497379) is 2-[1-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclopropyl]acetic acid is CCN(Cc1cccs1)CC1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclopropyl]acetic acid?
The InChIKey is WOPLNFKFEUNAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-2-14(9-11-4-3-7-17-11)10-13(5-6-13)8-12(15)16/h3-4,7H,2,5-6,8-10H2,1H3,(H,15,16).
What are the key properties of 2-[1-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclopropyl]acetic acid?
2-[1-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclopropyl]acetic acid has a molecular weight of 253.37 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65497379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).