1-[acetyl(ethyl)amino]-2-methylsulfonylcyclopentane-1-carboxylic acid

C11H19NO5S — CID 65045086

IUPAC1-[acetyl(ethyl)amino]-2-methylsulfonylcyclopentane-1-carboxylic acid
SMILESCCN(C(C)=O)C1(C(=O)O)CCCC1S(C)(=O)=O
InChIInChI=1S/C11H19NO5S/c1-4-12(8(2)13)11(10(14)15)7-5-6-9(11)18(3,16)17/h9H,4-7H2,1-3H3,(H,14,15)
InChIKeyIURZJKXEEDFVLS-UHFFFAOYSA-N
MW277.34 g/mol
LogP0.28
Rot. Bonds4

About 1-[acetyl(ethyl)amino]-2-methylsulfonylcyclopentane-1-carboxylic acid

1-[acetyl(ethyl)amino]-2-methylsulfonylcyclopentane-1-carboxylic acid (PubChem CID 65045086) has the molecular formula C11H19NO5S and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-[acetyl(ethyl)amino]-2-methylsulfonylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[acetyl(ethyl)amino]-2-methylsulfonylcyclopentane-1-carboxylic acid
PubChem CID65045086
Molecular FormulaC11H19NO5S
Molecular Weight277.34 g/mol
Exact Mass277.10
IUPAC Name1-[acetyl(ethyl)amino]-2-methylsulfonylcyclopentane-1-carboxylic acid
SMILESCCN(C(C)=O)C1(C(=O)O)CCCC1S(C)(=O)=O
InChIInChI=1S/C11H19NO5S/c1-4-12(8(2)13)11(10(14)15)7-5-6-9(11)18(3,16)17/h9H,4-7H2,1-3H3,(H,14,15)
InChIKeyIURZJKXEEDFVLS-UHFFFAOYSA-N
XLogP0.28
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[ethyl(formyl)amino]-2-methylsulfonylcyclopentane-1-carboxylic acid
CID 65045194
1-[acetyl(ethyl)amino]-2,3-dimethylcyclohexane-1-carboxylic acid
CID 64755378
2-methylsulfonyl-1-(propylamino)cyclopentane-1-carboxylic acid
CID 65045017
1-[acetyl(ethyl)amino]-3-methylcyclopentane-1-carboxylic acid
CID 64513352
2-[2-methylsulfonyl-1-(propylamino)cyclopentyl]acetic acid
CID 65233577
1-(aminomethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65045771
methyl 2-(1-amino-2-methylsulfonylcyclopentyl)acetate
CID 79848202
1-(2-ethylbutyl)-2-methylsulfonylcyclopentan-1-ol
CID 82928391
1-(2-aminoethyl)-2-methylsulfonylcyclopentan-1-ol
CID 79125934
1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylsulfonylcyclopentan-1-amine
CID 65045428
1-(1-aminobutan-2-yl)-2-methylsulfonylcyclopentan-1-ol
CID 79123466
[2-(aminomethyl)-7-methylsulfonylspiro[2.4]heptan-2-yl]methanol
CID 65050172

Frequently Asked Questions

What is the IUPAC name of 1-[acetyl(ethyl)amino]-2-methylsulfonylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-[acetyl(ethyl)amino]-2-methylsulfonylcyclopentane-1-carboxylic acid (CID 65045086) is 1-[acetyl(ethyl)amino]-2-methylsulfonylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[acetyl(ethyl)amino]-2-methylsulfonylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[acetyl(ethyl)amino]-2-methylsulfonylcyclopentane-1-carboxylic acid is CCN(C(C)=O)C1(C(=O)O)CCCC1S(C)(=O)=O.
What is the InChIKey of 1-[acetyl(ethyl)amino]-2-methylsulfonylcyclopentane-1-carboxylic acid?
The InChIKey is IURZJKXEEDFVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5S/c1-4-12(8(2)13)11(10(14)15)7-5-6-9(11)18(3,16)17/h9H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 1-[acetyl(ethyl)amino]-2-methylsulfonylcyclopentane-1-carboxylic acid?
1-[acetyl(ethyl)amino]-2-methylsulfonylcyclopentane-1-carboxylic acid has a molecular weight of 277.34 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[acetyl(ethyl)amino]-2-methylsulfonylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 65045086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).