2-[1-(1-thiophen-2-ylpropylcarbamoylamino)cyclobutyl]acetic acid

C14H20N2O3S — CID 79851534

IUPAC2-[1-(1-thiophen-2-ylpropylcarbamoylamino)cyclobutyl]acetic acid
SMILESCCC(NC(=O)NC1(CC(=O)O)CCC1)c1cccs1
InChIInChI=1S/C14H20N2O3S/c1-2-10(11-5-3-8-20-11)15-13(19)16-14(6-4-7-14)9-12(17)18/h3,5,8,10H,2,4,6-7,9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyOJURKSZDOBCPCH-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.90
Rot. Bonds6

About 2-[1-(1-thiophen-2-ylpropylcarbamoylamino)cyclobutyl]acetic acid

2-[1-(1-thiophen-2-ylpropylcarbamoylamino)cyclobutyl]acetic acid (PubChem CID 79851534) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[1-(1-thiophen-2-ylpropylcarbamoylamino)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-thiophen-2-ylpropylcarbamoylamino)cyclobutyl]acetic acid
PubChem CID79851534
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-[1-(1-thiophen-2-ylpropylcarbamoylamino)cyclobutyl]acetic acid
SMILESCCC(NC(=O)NC1(CC(=O)O)CCC1)c1cccs1
InChIInChI=1S/C14H20N2O3S/c1-2-10(11-5-3-8-20-11)15-13(19)16-14(6-4-7-14)9-12(17)18/h3,5,8,10H,2,4,6-7,9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyOJURKSZDOBCPCH-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1-thiophen-2-ylbutylcarbamoylamino)cyclobutyl]acetic acid
CID 79842245
1-[(1-hydroxycyclopentyl)methyl]-3-(1-thiophen-2-ylpropyl)urea
CID 111104096
2-[1-(methylamino)cyclohexyl]-N-(1-thiophen-2-ylpropyl)acetamide
CID 65241939
1-benzyl-3-(1-thiophen-2-ylpropyl)urea
CID 47322594
1-(1-thiophen-2-ylpropylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62096618
2-[1-(pentan-3-ylcarbamoylamino)cyclopentyl]acetic acid
CID 64699645
3-methyl-5-oxo-5-(1-thiophen-2-ylpropylcarbamoylamino)pentanoic acid
CID 62963797
2,2-dimethyl-4-oxo-4-(1-thiophen-2-ylpropylcarbamoylamino)butanoic acid
CID 65299793
2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106
2,2-dimethyl-3-(1-thiophen-2-ylpropylcarbamoylamino)propanoic acid
CID 113308183
(2S)-4-hydroxy-2-(1-thiophen-2-ylpropylcarbamoylamino)butanoic acid
CID 107826899
2-[1-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79842228

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-thiophen-2-ylpropylcarbamoylamino)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(1-thiophen-2-ylpropylcarbamoylamino)cyclobutyl]acetic acid (CID 79851534) is 2-[1-(1-thiophen-2-ylpropylcarbamoylamino)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(1-thiophen-2-ylpropylcarbamoylamino)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(1-thiophen-2-ylpropylcarbamoylamino)cyclobutyl]acetic acid is CCC(NC(=O)NC1(CC(=O)O)CCC1)c1cccs1.
What is the InChIKey of 2-[1-(1-thiophen-2-ylpropylcarbamoylamino)cyclobutyl]acetic acid?
The InChIKey is OJURKSZDOBCPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-2-10(11-5-3-8-20-11)15-13(19)16-14(6-4-7-14)9-12(17)18/h3,5,8,10H,2,4,6-7,9H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[1-(1-thiophen-2-ylpropylcarbamoylamino)cyclobutyl]acetic acid?
2-[1-(1-thiophen-2-ylpropylcarbamoylamino)cyclobutyl]acetic acid has a molecular weight of 296.39 g/mol, XLogP of 2.90, 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-2-ylpropylcarbamoylamino)cyclobutyl]acetic acid is sourced from PubChem (CID 79851534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).