3-(thiolan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid

C11H18N2O3S — CID 103064106

IUPAC3-(thiolan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCSC1)NC1CCC(C(=O)O)C1
InChIInChI=1S/C11H18N2O3S/c14-10(15)7-1-2-8(5-7)12-11(16)13-9-3-4-17-6-9/h7-9H,1-6H2,(H,14,15)(H2,12,13,16)
InChIKeyWWYDKMQNJSEANG-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.04
Rot. Bonds3

About 3-(thiolan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid

3-(thiolan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 103064106) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 3-(thiolan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(thiolan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID103064106
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name3-(thiolan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCSC1)NC1CCC(C(=O)O)C1
InChIInChI=1S/C11H18N2O3S/c14-10(15)7-1-2-8(5-7)12-11(16)13-9-3-4-17-6-9/h7-9H,1-6H2,(H,14,15)(H2,12,13,16)
InChIKeyWWYDKMQNJSEANG-UHFFFAOYSA-N
XLogP1.04
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(thiolan-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 103064077
cis-(1R,3S)-3-[(2-ethylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320416
2-(thiolan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103062497
cis-(1R,3S)-3-(2-thiomorpholin-4-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106326297
cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321445
4-[(thiolan-3-ylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532658
cis-(1R,3S)-3-acetamidocyclopentane-1-carboxylic acid
CID 106320767
3-(cyclopropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549764
3-(cycloheptylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63043004
cis-(1S,3R)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 97030816
cis-(1R,3S)-3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120679065
cis-(1R,3S)-3-[(2-methylsulfanylcyclohexyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320449

Frequently Asked Questions

What is the IUPAC name of 3-(thiolan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(thiolan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 103064106) is 3-(thiolan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(thiolan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(thiolan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid is O=C(NC1CCSC1)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-(thiolan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is WWYDKMQNJSEANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c14-10(15)7-1-2-8(5-7)12-11(16)13-9-3-4-17-6-9/h7-9H,1-6H2,(H,14,15)(H2,12,13,16).
What are the key properties of 3-(thiolan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid?
3-(thiolan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 258.34 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiolan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103064106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).