2-[1-[(1-thiophen-3-ylethylcarbamoylamino)methyl]cyclobutyl]acetic acid

C14H20N2O3S — CID 81162908

IUPAC2-[1-[(1-thiophen-3-ylethylcarbamoylamino)methyl]cyclobutyl]acetic acid
SMILESCC(NC(=O)NCC1(CC(=O)O)CCC1)c1ccsc1
InChIInChI=1S/C14H20N2O3S/c1-10(11-3-6-20-8-11)16-13(19)15-9-14(4-2-5-14)7-12(17)18/h3,6,8,10H,2,4-5,7,9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyBEOOYJRDAINMEI-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.75
Rot. Bonds6

About 2-[1-[(1-thiophen-3-ylethylcarbamoylamino)methyl]cyclobutyl]acetic acid

2-[1-[(1-thiophen-3-ylethylcarbamoylamino)methyl]cyclobutyl]acetic acid (PubChem CID 81162908) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[1-[(1-thiophen-3-ylethylcarbamoylamino)methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1-thiophen-3-ylethylcarbamoylamino)methyl]cyclobutyl]acetic acid
PubChem CID81162908
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-[1-[(1-thiophen-3-ylethylcarbamoylamino)methyl]cyclobutyl]acetic acid
SMILESCC(NC(=O)NCC1(CC(=O)O)CCC1)c1ccsc1
InChIInChI=1S/C14H20N2O3S/c1-10(11-3-6-20-8-11)16-13(19)15-9-14(4-2-5-14)7-12(17)18/h3,6,8,10H,2,4-5,7,9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyBEOOYJRDAINMEI-UHFFFAOYSA-N
XLogP2.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclopentyl)-N-(1-thiophen-3-ylethyl)acetamide
CID 64679741
1-[[(1S)-1-thiophen-3-ylethyl]carbamoylamino]cyclopentane-1-carboxamide
CID 125443030
1-(1-thiophen-3-ylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 116655677
1-hydroxy-3-(1-thiophen-3-ylethyl)urea
CID 23821299
2-[2-oxo-2-(1-thiophen-3-ylethylamino)ethoxy]acetic acid
CID 62841517
2-[(1-thiophen-3-ylethylcarbamoylamino)methyl]pentanoic acid
CID 65221822
3-[(1-thiophen-3-ylethylcarbamoylamino)methyl]benzoic acid
CID 62844610
2-[1-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]cyclopentyl]acetic acid
CID 60722581
3-methyl-2-(1-thiophen-3-ylethylcarbamoylamino)butanoic acid
CID 55127095
1-[(1-hydroxycyclopentyl)methyl]-3-(2-thiophen-3-ylpropyl)urea
CID 111509669
2-[4-(1-thiophen-3-ylethylcarbamoylamino)phenyl]acetic acid
CID 62844073
1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol
CID 62840169

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-thiophen-3-ylethylcarbamoylamino)methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(1-thiophen-3-ylethylcarbamoylamino)methyl]cyclobutyl]acetic acid (CID 81162908) is 2-[1-[(1-thiophen-3-ylethylcarbamoylamino)methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(1-thiophen-3-ylethylcarbamoylamino)methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(1-thiophen-3-ylethylcarbamoylamino)methyl]cyclobutyl]acetic acid is CC(NC(=O)NCC1(CC(=O)O)CCC1)c1ccsc1.
What is the InChIKey of 2-[1-[(1-thiophen-3-ylethylcarbamoylamino)methyl]cyclobutyl]acetic acid?
The InChIKey is BEOOYJRDAINMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10(11-3-6-20-8-11)16-13(19)15-9-14(4-2-5-14)7-12(17)18/h3,6,8,10H,2,4-5,7,9H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[1-[(1-thiophen-3-ylethylcarbamoylamino)methyl]cyclobutyl]acetic acid?
2-[1-[(1-thiophen-3-ylethylcarbamoylamino)methyl]cyclobutyl]acetic acid has a molecular weight of 296.39 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-thiophen-3-ylethylcarbamoylamino)methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81162908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).