1-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclobutane-1-carboxylic acid

C12H14N2O4S — CID 81158878

IUPAC1-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(CNC(=O)c1cccs1)NC1(C(=O)O)CCC1
InChIInChI=1S/C12H14N2O4S/c15-9(14-12(11(17)18)4-2-5-12)7-13-10(16)8-3-1-6-19-8/h1,3,6H,2,4-5,7H2,(H,13,16)(H,14,15)(H,17,18)
InChIKeyKXQQXGZCIIQSSE-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.60
Rot. Bonds5

About 1-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclobutane-1-carboxylic acid

1-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 81158878) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is 1-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclobutane-1-carboxylic acid
PubChem CID81158878
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC Name1-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(CNC(=O)c1cccs1)NC1(C(=O)O)CCC1
InChIInChI=1S/C12H14N2O4S/c15-9(14-12(11(17)18)4-2-5-12)7-13-10(16)8-3-1-6-19-8/h1,3,6H,2,4-5,7H2,(H,13,16)(H,14,15)(H,17,18)
InChIKeyKXQQXGZCIIQSSE-UHFFFAOYSA-N
XLogP0.60
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(thiophene-2-carbonylamino)acetyl]amino]thiane-4-carboxylic acid
CID 120531061
N-[2-[[1-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 62520738
1-[[[2-(thiophene-2-carbonylamino)acetyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445135
1-(thiophen-2-ylmethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81163003
N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 110416723
N-[2-(cyclooctylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 4082368
2-[1-[3-(thiophene-2-carbonylamino)propanoylamino]cyclobutyl]acetic acid
CID 79844638
N-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]thiophene-2-carboxamide
CID 27227873
N-[(1-ethylcyclobutyl)methyl]thiophene-2-carboxamide
CID 103741423
2-hydroxy-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]propanoic acid
CID 66165843
2-methyl-1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid
CID 104594699
N-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]amino]ethyl]thiophene-2-carboxamide
CID 9163386

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclobutane-1-carboxylic acid (CID 81158878) is 1-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclobutane-1-carboxylic acid is O=C(CNC(=O)c1cccs1)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is KXQQXGZCIIQSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S/c15-9(14-12(11(17)18)4-2-5-12)7-13-10(16)8-3-1-6-19-8/h1,3,6H,2,4-5,7H2,(H,13,16)(H,14,15)(H,17,18).
What are the key properties of 1-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclobutane-1-carboxylic acid?
1-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 282.32 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81158878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).