1-(3-methylsulfanylpropylcarbamoylamino)cyclopentane-1-carboxylic acid

C11H20N2O3S — CID 63957723

IUPAC1-(3-methylsulfanylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCSCCCNC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C11H20N2O3S/c1-17-8-4-7-12-10(16)13-11(9(14)15)5-2-3-6-11/h2-8H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyOCBGYNXFDRQZQQ-UHFFFAOYSA-N
MW260.36 g/mol
LogP1.44
Rot. Bonds6

About 1-(3-methylsulfanylpropylcarbamoylamino)cyclopentane-1-carboxylic acid

1-(3-methylsulfanylpropylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 63957723) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-(3-methylsulfanylpropylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-methylsulfanylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID63957723
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name1-(3-methylsulfanylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCSCCCNC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C11H20N2O3S/c1-17-8-4-7-12-10(16)13-11(9(14)15)5-2-3-6-11/h2-8H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyOCBGYNXFDRQZQQ-UHFFFAOYSA-N
XLogP1.44
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfanylpropylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(3-methylsulfanylpropylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 63957723) is 1-(3-methylsulfanylpropylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(3-methylsulfanylpropylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(3-methylsulfanylpropylcarbamoylamino)cyclopentane-1-carboxylic acid is CSCCCNC(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-(3-methylsulfanylpropylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is OCBGYNXFDRQZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-17-8-4-7-12-10(16)13-11(9(14)15)5-2-3-6-11/h2-8H2,1H3,(H,14,15)(H2,12,13,16).
What are the key properties of 1-(3-methylsulfanylpropylcarbamoylamino)cyclopentane-1-carboxylic acid?
1-(3-methylsulfanylpropylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 260.36 g/mol, XLogP of 1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfanylpropylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 63957723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).