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

C13H16N2O4S — CID 115445135

IUPAC1-[[[2-(thiophene-2-carbonylamino)acetyl]amino]methyl]cyclobutane-1-carboxylic acid
SMILESO=C(CNC(=O)c1cccs1)NCC1(C(=O)O)CCC1
InChIInChI=1S/C13H16N2O4S/c16-10(7-14-11(17)9-3-1-6-20-9)15-8-13(12(18)19)4-2-5-13/h1,3,6H,2,4-5,7-8H2,(H,14,17)(H,15,16)(H,18,19)
InChIKeyUAWKOLSLURQELA-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.85
Rot. Bonds6

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

1-[[[2-(thiophene-2-carbonylamino)acetyl]amino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 115445135) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 1-[[[2-(thiophene-2-carbonylamino)acetyl]amino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[2-(thiophene-2-carbonylamino)acetyl]amino]methyl]cyclobutane-1-carboxylic acid
PubChem CID115445135
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name1-[[[2-(thiophene-2-carbonylamino)acetyl]amino]methyl]cyclobutane-1-carboxylic acid
SMILESO=C(CNC(=O)c1cccs1)NCC1(C(=O)O)CCC1
InChIInChI=1S/C13H16N2O4S/c16-10(7-14-11(17)9-3-1-6-20-9)15-8-13(12(18)19)4-2-5-13/h1,3,6H,2,4-5,7-8H2,(H,14,17)(H,15,16)(H,18,19)
InChIKeyUAWKOLSLURQELA-UHFFFAOYSA-N
XLogP0.85
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158878
1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81361995
N-[2-[[1-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 62520738
4-[[2-(thiophene-2-carbonylamino)acetyl]amino]thiane-4-carboxylic acid
CID 120531061
N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 110416723
N-[(1-ethylcyclobutyl)methyl]thiophene-2-carboxamide
CID 103741423
2-hydroxy-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]propanoic acid
CID 66165843
N-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]amino]ethyl]thiophene-2-carboxamide
CID 9163386
N-[2-(cyclooctylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 4082368
1-[[[2-[(3-fluorobenzoyl)amino]acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120545034
N-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]thiophene-2-carboxamide
CID 27227873
N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 115364345

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(thiophene-2-carbonylamino)acetyl]amino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[[2-(thiophene-2-carbonylamino)acetyl]amino]methyl]cyclobutane-1-carboxylic acid (CID 115445135) is 1-[[[2-(thiophene-2-carbonylamino)acetyl]amino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[[2-(thiophene-2-carbonylamino)acetyl]amino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[[2-(thiophene-2-carbonylamino)acetyl]amino]methyl]cyclobutane-1-carboxylic acid is O=C(CNC(=O)c1cccs1)NCC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[[2-(thiophene-2-carbonylamino)acetyl]amino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is UAWKOLSLURQELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c16-10(7-14-11(17)9-3-1-6-20-9)15-8-13(12(18)19)4-2-5-13/h1,3,6H,2,4-5,7-8H2,(H,14,17)(H,15,16)(H,18,19).
What are the key properties of 1-[[[2-(thiophene-2-carbonylamino)acetyl]amino]methyl]cyclobutane-1-carboxylic acid?
1-[[[2-(thiophene-2-carbonylamino)acetyl]amino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 296.35 g/mol, XLogP of 0.85, 6 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]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115445135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).