2-[1-(2-methylsulfanylethylcarbamoylamino)cyclopentyl]acetic acid

C11H20N2O3S — CID 64701497

IUPAC2-[1-(2-methylsulfanylethylcarbamoylamino)cyclopentyl]acetic acid
SMILESCSCCNC(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C11H20N2O3S/c1-17-7-6-12-10(16)13-11(8-9(14)15)4-2-3-5-11/h2-8H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyGQGKMNLLENGLPU-UHFFFAOYSA-N
MW260.36 g/mol
LogP1.44
Rot. Bonds6

About 2-[1-(2-methylsulfanylethylcarbamoylamino)cyclopentyl]acetic acid

2-[1-(2-methylsulfanylethylcarbamoylamino)cyclopentyl]acetic acid (PubChem CID 64701497) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-[1-(2-methylsulfanylethylcarbamoylamino)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methylsulfanylethylcarbamoylamino)cyclopentyl]acetic acid
PubChem CID64701497
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name2-[1-(2-methylsulfanylethylcarbamoylamino)cyclopentyl]acetic acid
SMILESCSCCNC(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C11H20N2O3S/c1-17-7-6-12-10(16)13-11(8-9(14)15)4-2-3-5-11/h2-8H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyGQGKMNLLENGLPU-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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Related Compounds

2-[1-(4,4,4-Trifluorobutan-2-ylcarbamoylamino)cyclopentyl]acetic acid
CID 105945063
2-[1-[2-(Trifluoromethylsulfanyl)ethylcarbamoylamino]cyclopentyl]acetic acid
CID 106431507
2-[1-[2-(Trifluoromethylsulfanyl)ethylcarbamoylamino]cyclohexyl]acetic acid
CID 106431679
1-[[2-(Trifluoromethylsulfanyl)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 106431692
1-Methyl-2-[2-(trifluoromethylsulfanyl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106431743
5-[(2S,3S,4S)-3,4-dimethyl-3-(methylcarbamoylamino)thiolan-2-yl]pentanoic acid
CID 71212541
1-[(2-Methyl-3-methylsulfanylpropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 63957532
3-(2-Methylsulfanylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63957698
1-(3-Methylsulfanylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 63957723
7-[(2-Methyl-3-methylsulfanylpropyl)carbamoylamino]heptanoic acid
CID 63957732
1-(2-Methylsulfanylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 63957917
1-(3-Methylsulfanylpropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63958355

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylsulfanylethylcarbamoylamino)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(2-methylsulfanylethylcarbamoylamino)cyclopentyl]acetic acid (CID 64701497) is 2-[1-(2-methylsulfanylethylcarbamoylamino)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(2-methylsulfanylethylcarbamoylamino)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(2-methylsulfanylethylcarbamoylamino)cyclopentyl]acetic acid is CSCCNC(=O)NC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-(2-methylsulfanylethylcarbamoylamino)cyclopentyl]acetic acid?
The InChIKey is GQGKMNLLENGLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-17-7-6-12-10(16)13-11(8-9(14)15)4-2-3-5-11/h2-8H2,1H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-[1-(2-methylsulfanylethylcarbamoylamino)cyclopentyl]acetic acid?
2-[1-(2-methylsulfanylethylcarbamoylamino)cyclopentyl]acetic 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 2-[1-(2-methylsulfanylethylcarbamoylamino)cyclopentyl]acetic acid is sourced from PubChem (CID 64701497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).