3-(2-methylsulfinylpropylcarbamoylamino)cyclopentane-1-carboxylic acid

C11H20N2O4S — CID 113484428

IUPAC3-(2-methylsulfinylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCC(CNC(=O)NC1CCC(C(=O)O)C1)S(C)=O
InChIInChI=1S/C11H20N2O4S/c1-7(18(2)17)6-12-11(16)13-9-4-3-8(5-9)10(14)15/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyYTWUCLKTOHQPLU-UHFFFAOYSA-N
MW276.36 g/mol
LogP0.31
Rot. Bonds5

About 3-(2-methylsulfinylpropylcarbamoylamino)cyclopentane-1-carboxylic acid

3-(2-methylsulfinylpropylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 113484428) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-(2-methylsulfinylpropylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-methylsulfinylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID113484428
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name3-(2-methylsulfinylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCC(CNC(=O)NC1CCC(C(=O)O)C1)S(C)=O
InChIInChI=1S/C11H20N2O4S/c1-7(18(2)17)6-12-11(16)13-9-4-3-8(5-9)10(14)15/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyYTWUCLKTOHQPLU-UHFFFAOYSA-N
XLogP0.31
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 102907107
cis-(1R,3S)-3-(2-pyrrolidin-1-ylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319901
cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321445
cis-(1R,3S)-3-(2-prop-2-enoxypropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 114265030
cis-(1R,3S)-3-(2,2-dimethylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319362
cis-(1R,3S)-3-(cyclopropylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106323981
cis-(1R,3S)-3-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106320505
1-[(2S)-2-hydroxypropyl]-3-[(1R,3R)-3-methylcyclopentyl]urea
CID 100656188
3-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032016
3-(2-cyclopropylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032847
cis-(1R,3S)-3-[(3-methylcyclopentyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 114173106
3-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 103463220

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfinylpropylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(2-methylsulfinylpropylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 113484428) is 3-(2-methylsulfinylpropylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(2-methylsulfinylpropylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(2-methylsulfinylpropylcarbamoylamino)cyclopentane-1-carboxylic acid is CC(CNC(=O)NC1CCC(C(=O)O)C1)S(C)=O.
What is the InChIKey of 3-(2-methylsulfinylpropylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is YTWUCLKTOHQPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-7(18(2)17)6-12-11(16)13-9-4-3-8(5-9)10(14)15/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16).
What are the key properties of 3-(2-methylsulfinylpropylcarbamoylamino)cyclopentane-1-carboxylic acid?
3-(2-methylsulfinylpropylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 276.36 g/mol, XLogP of 0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfinylpropylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 113484428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).