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

C11H14N2O3S — CID 79851631

IUPAC2-[1-(thiophen-3-ylcarbamoylamino)cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)Nc2ccsc2)CCC1
InChIInChI=1S/C11H14N2O3S/c14-9(15)6-11(3-1-4-11)13-10(16)12-8-2-5-17-7-8/h2,5,7H,1,3-4,6H2,(H,14,15)(H2,12,13,16)
InChIKeyJMPMHNJJOXEXQR-UHFFFAOYSA-N
MW254.31 g/mol
LogP2.27
Rot. Bonds4

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

2-[1-(thiophen-3-ylcarbamoylamino)cyclobutyl]acetic acid (PubChem CID 79851631) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-[1-(thiophen-3-ylcarbamoylamino)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(thiophen-3-ylcarbamoylamino)cyclobutyl]acetic acid
PubChem CID79851631
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name2-[1-(thiophen-3-ylcarbamoylamino)cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)Nc2ccsc2)CCC1
InChIInChI=1S/C11H14N2O3S/c14-9(15)6-11(3-1-4-11)13-10(16)12-8-2-5-17-7-8/h2,5,7H,1,3-4,6H2,(H,14,15)(H2,12,13,16)
InChIKeyJMPMHNJJOXEXQR-UHFFFAOYSA-N
XLogP2.27
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(thiophen-3-ylcarbamoylamino)cyclopentyl]acetic acid
CID 66355460
2-[1-(thiophen-3-ylmethylcarbamoylamino)cyclopentyl]acetic acid
CID 64700143
2-[1-(thiophene-3-carbonylamino)cyclohexyl]acetic acid
CID 64670782
2-[1-[(4-bromophenyl)carbamoylamino]cyclopentyl]acetic acid
CID 64702006
2-[1-[(4-chlorophenyl)carbamoylamino]cyclohexyl]acetic acid
CID 64672747
2-[3-(thiophen-3-ylamino)azetidin-3-yl]acetic acid
CID 107142827
2-[1-[(4-bromo-3-fluorophenyl)carbamoylamino]cyclobutyl]acetic acid
CID 79851397
2-[1-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclobutyl]acetic acid
CID 79842234
1-[(thiophen-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436981
2-[1-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845469
2-[1-(pyridin-3-ylcarbamoylamino)cyclohexyl]acetic acid
CID 64701210
2-[1-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79842220

Frequently Asked Questions

What is the IUPAC name of 2-[1-(thiophen-3-ylcarbamoylamino)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(thiophen-3-ylcarbamoylamino)cyclobutyl]acetic acid (CID 79851631) is 2-[1-(thiophen-3-ylcarbamoylamino)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(thiophen-3-ylcarbamoylamino)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(thiophen-3-ylcarbamoylamino)cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)Nc2ccsc2)CCC1.
What is the InChIKey of 2-[1-(thiophen-3-ylcarbamoylamino)cyclobutyl]acetic acid?
The InChIKey is JMPMHNJJOXEXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c14-9(15)6-11(3-1-4-11)13-10(16)12-8-2-5-17-7-8/h2,5,7H,1,3-4,6H2,(H,14,15)(H2,12,13,16).
What are the key properties of 2-[1-(thiophen-3-ylcarbamoylamino)cyclobutyl]acetic acid?
2-[1-(thiophen-3-ylcarbamoylamino)cyclobutyl]acetic acid has a molecular weight of 254.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(thiophen-3-ylcarbamoylamino)cyclobutyl]acetic acid is sourced from PubChem (CID 79851631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).