2-[1-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid

C15H20N2O3S — CID 79842220

IUPAC2-[1-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)N(Cc2ccsc2)C2CC2)CCC1
InChIInChI=1S/C15H20N2O3S/c18-13(19)8-15(5-1-6-15)16-14(20)17(12-2-3-12)9-11-4-7-21-10-11/h4,7,10,12H,1-3,5-6,8-9H2,(H,16,20)(H,18,19)
InChIKeyCIDPXBCWBHJXLZ-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.82
Rot. Bonds6

About 2-[1-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid

2-[1-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid (PubChem CID 79842220) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-[1-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid
PubChem CID79842220
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name2-[1-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)N(Cc2ccsc2)C2CC2)CCC1
InChIInChI=1S/C15H20N2O3S/c18-13(19)8-15(5-1-6-15)16-14(20)17(12-2-3-12)9-11-4-7-21-10-11/h4,7,10,12H,1-3,5-6,8-9H2,(H,16,20)(H,18,19)
InChIKeyCIDPXBCWBHJXLZ-UHFFFAOYSA-N
XLogP2.82
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(thiophen-3-ylmethylcarbamoylamino)cyclopentyl]acetic acid
CID 64700143
N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 79887165
6-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]hexanoic acid
CID 61435678
(2S)-2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid
CID 78971232
2-[1-(thiophen-3-ylcarbamoylamino)cyclobutyl]acetic acid
CID 79851631
1-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide
CID 61167976
2-[1-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 102865457
3-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 61435483
1-cyclopropyl-3-(oxan-4-yl)-1-(thiophen-3-ylmethyl)urea
CID 91812769
2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114402
2-[1-(thiophene-3-carbonylamino)cyclohexyl]acetic acid
CID 64670782
3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid
CID 60838165

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid (CID 79842220) is 2-[1-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)N(Cc2ccsc2)C2CC2)CCC1.
What is the InChIKey of 2-[1-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid?
The InChIKey is CIDPXBCWBHJXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c18-13(19)8-15(5-1-6-15)16-14(20)17(12-2-3-12)9-11-4-7-21-10-11/h4,7,10,12H,1-3,5-6,8-9H2,(H,16,20)(H,18,19).
What are the key properties of 2-[1-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid?
2-[1-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid has a molecular weight of 308.40 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79842220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).