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

C15H22N2O3S — CID 79842245

IUPAC2-[1-(1-thiophen-2-ylbutylcarbamoylamino)cyclobutyl]acetic acid
SMILESCCCC(NC(=O)NC1(CC(=O)O)CCC1)c1cccs1
InChIInChI=1S/C15H22N2O3S/c1-2-5-11(12-6-3-9-21-12)16-14(20)17-15(7-4-8-15)10-13(18)19/h3,6,9,11H,2,4-5,7-8,10H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyVQPNIBJEBYXQNL-UHFFFAOYSA-N
MW310.42 g/mol
LogP3.29
Rot. Bonds7

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

2-[1-(1-thiophen-2-ylbutylcarbamoylamino)cyclobutyl]acetic acid (PubChem CID 79842245) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-[1-(1-thiophen-2-ylbutylcarbamoylamino)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-thiophen-2-ylbutylcarbamoylamino)cyclobutyl]acetic acid
PubChem CID79842245
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-[1-(1-thiophen-2-ylbutylcarbamoylamino)cyclobutyl]acetic acid
SMILESCCCC(NC(=O)NC1(CC(=O)O)CCC1)c1cccs1
InChIInChI=1S/C15H22N2O3S/c1-2-5-11(12-6-3-9-21-12)16-14(20)17-15(7-4-8-15)10-13(18)19/h3,6,9,11H,2,4-5,7-8,10H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyVQPNIBJEBYXQNL-UHFFFAOYSA-N
XLogP3.29
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1-thiophen-2-ylpropylcarbamoylamino)cyclobutyl]acetic acid
CID 79851534
3-oxo-3-(1-thiophen-2-ylbutylamino)propanoic acid
CID 62231148
3-methyl-4-(1-thiophen-2-ylbutylcarbamoylamino)butanoic acid
CID 81069049
1-carbamothioyl-N-(1-thiophen-2-ylbutyl)cyclobutane-1-carboxamide
CID 80589308
1-(aminomethyl)-N-(1-thiophen-2-ylbutyl)cyclopentane-1-carboxamide
CID 115435212
4-oxo-4-(1-thiophen-2-ylbutylcarbamoylamino)but-2-enoic acid
CID 76905683
2-[1-(1-methoxypentan-2-ylcarbamoylamino)cyclobutyl]acetic acid
CID 79851151
2,2-difluoro-N-(1-thiophen-2-ylbutyl)acetamide
CID 103515707
(2R)-4-amino-4-oxo-2-(1-thiophen-2-ylbutylcarbamoylamino)butanoic acid
CID 107826912
(2S)-4-amino-4-oxo-2-(1-thiophen-2-ylbutylcarbamoylamino)butanoic acid
CID 63719214
1-[(1-hydroxycyclopentyl)methyl]-3-(1-thiophen-2-ylpropyl)urea
CID 111104096
2-bromo-N-(1-thiophen-2-ylbutyl)propanamide
CID 107904985

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-thiophen-2-ylbutylcarbamoylamino)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(1-thiophen-2-ylbutylcarbamoylamino)cyclobutyl]acetic acid (CID 79842245) is 2-[1-(1-thiophen-2-ylbutylcarbamoylamino)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(1-thiophen-2-ylbutylcarbamoylamino)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(1-thiophen-2-ylbutylcarbamoylamino)cyclobutyl]acetic acid is CCCC(NC(=O)NC1(CC(=O)O)CCC1)c1cccs1.
What is the InChIKey of 2-[1-(1-thiophen-2-ylbutylcarbamoylamino)cyclobutyl]acetic acid?
The InChIKey is VQPNIBJEBYXQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-2-5-11(12-6-3-9-21-12)16-14(20)17-15(7-4-8-15)10-13(18)19/h3,6,9,11H,2,4-5,7-8,10H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[1-(1-thiophen-2-ylbutylcarbamoylamino)cyclobutyl]acetic acid?
2-[1-(1-thiophen-2-ylbutylcarbamoylamino)cyclobutyl]acetic acid has a molecular weight of 310.42 g/mol, XLogP of 3.29, 7 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-ylbutylcarbamoylamino)cyclobutyl]acetic acid is sourced from PubChem (CID 79842245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).