3-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid

C13H22N2O3S — CID 114117009

IUPAC3-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCSC1(CNC(=O)NC2CCC(C(=O)O)C2)CCC1
InChIInChI=1S/C13H22N2O3S/c1-19-13(5-2-6-13)8-14-12(18)15-10-4-3-9(7-10)11(16)17/h9-10H,2-8H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyQAZUMCSOBQKRNC-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.82
Rot. Bonds5

About 3-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid

3-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 114117009) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 3-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID114117009
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name3-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCSC1(CNC(=O)NC2CCC(C(=O)O)C2)CCC1
InChIInChI=1S/C13H22N2O3S/c1-19-13(5-2-6-13)8-14-12(18)15-10-4-3-9(7-10)11(16)17/h9-10H,2-8H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyQAZUMCSOBQKRNC-UHFFFAOYSA-N
XLogP1.82
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

cis-(1R,3S)-3-[(1-ethylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 114173120
cis-(1R,3S)-3-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106320224
cis-(1R,3S)-3-[(2-methyloxolan-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 114173028
cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321445
4-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 105419513
4-[(1-hydroxy-2,2-dimethylcyclopentyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122024696
5-methyl-1-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122123657
cis-(1R,3S)-3-[(2-ethyl-2-methylsulfanylbutyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320429
2-methyl-1-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 114116876
cis-(1R,3S)-3-(2,2-dimethylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319362
cis-(1R,3S)-3-(6-methylsulfanylhexylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106320461
cis-(1R,3S)-3-(cyclopropylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106323981

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid (CID 114117009) is 3-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid is CSC1(CNC(=O)NC2CCC(C(=O)O)C2)CCC1.
What is the InChIKey of 3-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is QAZUMCSOBQKRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-19-13(5-2-6-13)8-14-12(18)15-10-4-3-9(7-10)11(16)17/h9-10H,2-8H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 3-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
3-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 286.40 g/mol, XLogP of 1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114117009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).