2-[1-(5-ethylthiophen-2-yl)ethylamino]pentanoic acid

C13H21NO2S — CID 65055468

IUPAC2-[1-(5-ethylthiophen-2-yl)ethylamino]pentanoic acid
SMILESCCCC(NC(C)c1ccc(CC)s1)C(=O)O
InChIInChI=1S/C13H21NO2S/c1-4-6-11(13(15)16)14-9(3)12-8-7-10(5-2)17-12/h7-9,11,14H,4-6H2,1-3H3,(H,15,16)
InChIKeyCMILVNHXNRVPBY-UHFFFAOYSA-N
MW255.38 g/mol
LogP3.21
Rot. Bonds7

About 2-[1-(5-ethylthiophen-2-yl)ethylamino]pentanoic acid

2-[1-(5-ethylthiophen-2-yl)ethylamino]pentanoic acid (PubChem CID 65055468) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 2-[1-(5-ethylthiophen-2-yl)ethylamino]pentanoic acid.

Molecular Properties

Compound Name2-[1-(5-ethylthiophen-2-yl)ethylamino]pentanoic acid
PubChem CID65055468
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name2-[1-(5-ethylthiophen-2-yl)ethylamino]pentanoic acid
SMILESCCCC(NC(C)c1ccc(CC)s1)C(=O)O
InChIInChI=1S/C13H21NO2S/c1-4-6-11(13(15)16)14-9(3)12-8-7-10(5-2)17-12/h7-9,11,14H,4-6H2,1-3H3,(H,15,16)
InChIKeyCMILVNHXNRVPBY-UHFFFAOYSA-N
XLogP3.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(5-ethylthiophen-2-yl)ethylamino]-N-methylpropanamide
CID 61464605
(3R)-3-[1-(5-ethylthiophen-2-yl)ethylamino]butan-1-ol
CID 103871723
2-[(5-ethylthiophen-2-yl)sulfonylamino]pentanoic acid
CID 54947261
(1R)-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-phenylethanamine
CID 81351461
(1R)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 55277214
2-(1-pyridin-4-ylethylamino)pentanoic acid
CID 65055511
4-[1-(5-ethylthiophen-2-yl)ethylamino]benzoic acid
CID 61333563
2-[1-(5-chlorothiophen-2-yl)ethylcarbamoylamino]pentanoic acid
CID 61470647
2-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945989
N-[2-[1-(5-ethylthiophen-2-yl)ethylamino]ethyl]acetamide
CID 61333178
2-[1-(5-ethylthiophen-2-yl)ethylamino]-2-methylpropanamide
CID 61336100
(1R)-1-(5-ethylthiophen-2-yl)butan-1-amine;hydrochloride
CID 171211735

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-ethylthiophen-2-yl)ethylamino]pentanoic acid?
The IUPAC name of 2-[1-(5-ethylthiophen-2-yl)ethylamino]pentanoic acid (CID 65055468) is 2-[1-(5-ethylthiophen-2-yl)ethylamino]pentanoic acid.
What is the SMILES notation for 2-[1-(5-ethylthiophen-2-yl)ethylamino]pentanoic acid?
The canonical SMILES for 2-[1-(5-ethylthiophen-2-yl)ethylamino]pentanoic acid is CCCC(NC(C)c1ccc(CC)s1)C(=O)O.
What is the InChIKey of 2-[1-(5-ethylthiophen-2-yl)ethylamino]pentanoic acid?
The InChIKey is CMILVNHXNRVPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-4-6-11(13(15)16)14-9(3)12-8-7-10(5-2)17-12/h7-9,11,14H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 2-[1-(5-ethylthiophen-2-yl)ethylamino]pentanoic acid?
2-[1-(5-ethylthiophen-2-yl)ethylamino]pentanoic acid has a molecular weight of 255.38 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-ethylthiophen-2-yl)ethylamino]pentanoic acid is sourced from PubChem (CID 65055468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).