1-(2-thiomorpholin-4-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid

C12H21N3O3S — CID 114173937

IUPAC1-(2-thiomorpholin-4-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid
SMILESO=C(NCCN1CCSCC1)NC1(C(=O)O)CCC1
InChIInChI=1S/C12H21N3O3S/c16-10(17)12(2-1-3-12)14-11(18)13-4-5-15-6-8-19-9-7-15/h1-9H2,(H,16,17)(H2,13,14,18)
InChIKeyQSIZIOYMZKCUAI-UHFFFAOYSA-N
MW287.39 g/mol
LogP0.34
Rot. Bonds5

About 1-(2-thiomorpholin-4-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid

1-(2-thiomorpholin-4-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid (PubChem CID 114173937) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-(2-thiomorpholin-4-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-thiomorpholin-4-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid
PubChem CID114173937
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC Name1-(2-thiomorpholin-4-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid
SMILESO=C(NCCN1CCSCC1)NC1(C(=O)O)CCC1
InChIInChI=1S/C12H21N3O3S/c16-10(17)12(2-1-3-12)14-11(18)13-4-5-15-6-8-19-9-7-15/h1-9H2,(H,16,17)(H2,13,14,18)
InChIKeyQSIZIOYMZKCUAI-UHFFFAOYSA-N
XLogP0.34
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81163045
1-(2-pyrrolidin-1-ylethylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 62634646
1-(2-aminoethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61402688
2-methyl-3-(2-thiomorpholin-4-ylethylcarbamoylamino)propanoic acid
CID 114173902
1-cyano-N-(2-thiomorpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 106325470
4-methyl-1-(2-thiomorpholin-4-ylethylcarbamoyl)piperidine-4-carboxylic acid
CID 106326529
2-[1-[2-oxo-2-(2-thiomorpholin-4-ylethylamino)ethyl]cyclopentyl]acetic acid
CID 106305188
1-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)cyclopentane-1-carboxamide
CID 103813670
2-hydroxy-4-(2-thiomorpholin-4-ylethylcarbamoylamino)butanoic acid
CID 114173920
2,2-dimethyl-3-(2-thiomorpholin-4-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 106305204
2-methyl-5-(2-thiomorpholin-4-ylethylcarbamoylamino)pentanoic acid
CID 106326229
1-[2-(cyclohexen-1-yl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 107855984

Frequently Asked Questions

What is the IUPAC name of 1-(2-thiomorpholin-4-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2-thiomorpholin-4-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid (CID 114173937) is 1-(2-thiomorpholin-4-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2-thiomorpholin-4-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2-thiomorpholin-4-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid is O=C(NCCN1CCSCC1)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-(2-thiomorpholin-4-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid?
The InChIKey is QSIZIOYMZKCUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c16-10(17)12(2-1-3-12)14-11(18)13-4-5-15-6-8-19-9-7-15/h1-9H2,(H,16,17)(H2,13,14,18).
What are the key properties of 1-(2-thiomorpholin-4-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid?
1-(2-thiomorpholin-4-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid has a molecular weight of 287.39 g/mol, XLogP of 0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-thiomorpholin-4-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 114173937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).