methyl 2-(1-amino-2-methylsulfonylcyclopentyl)acetate

C9H17NO4S — CID 79848202

IUPACmethyl 2-(1-amino-2-methylsulfonylcyclopentyl)acetate
SMILESCOC(=O)CC1(N)CCCC1S(C)(=O)=O
InChIInChI=1S/C9H17NO4S/c1-14-8(11)6-9(10)5-3-4-7(9)15(2,12)13/h7H,3-6,10H2,1-2H3
InChIKeyCIQNHILSWUCGCR-UHFFFAOYSA-N
MW235.30 g/mol
LogP-0.16
Rot. Bonds3

About methyl 2-(1-amino-2-methylsulfonylcyclopentyl)acetate

methyl 2-(1-amino-2-methylsulfonylcyclopentyl)acetate (PubChem CID 79848202) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is methyl 2-(1-amino-2-methylsulfonylcyclopentyl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-amino-2-methylsulfonylcyclopentyl)acetate
PubChem CID79848202
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Namemethyl 2-(1-amino-2-methylsulfonylcyclopentyl)acetate
SMILESCOC(=O)CC1(N)CCCC1S(C)(=O)=O
InChIInChI=1S/C9H17NO4S/c1-14-8(11)6-9(10)5-3-4-7(9)15(2,12)13/h7H,3-6,10H2,1-2H3
InChIKeyCIQNHILSWUCGCR-UHFFFAOYSA-N
XLogP-0.16
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(aminomethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65045771
methyl 2-(1-amino-3-methylcyclohexyl)acetate
CID 79848601
methyl 2-[(1R,5R)-6-amino-6-bicyclo[3.2.0]heptanyl]acetate
CID 178191667
1-(2-aminoethyl)-2-methylsulfonylcyclopentan-1-ol
CID 79125934
methyl 2-[1-(2-methoxy-2-oxoethyl)-3-methylcyclohexyl]acetate
CID 101326115
methyl 2-[(1R,2R)-1,2-dihydroxycyclohexyl]acetate
CID 11600811
2-[2-methylsulfonyl-1-(propylamino)cyclopentyl]acetic acid
CID 65233577
1-(aminomethyl)-N-(2-methoxyethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65044744
[1-(2-methoxyethylamino)-2-methylsulfonylcyclopentyl]methanol
CID 65049891
methyl 2-[1-(cyclobutylsulfonylmethyl)cyclopropyl]acetate
CID 107776814
methyl 2-[1-(aminomethyl)-2,3-dimethylcyclohexyl]acetate
CID 66098305
methyl 2-(1-amino-4-tert-butyl-4-methylcyclohexyl)acetate
CID 70866796

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-amino-2-methylsulfonylcyclopentyl)acetate?
The IUPAC name of methyl 2-(1-amino-2-methylsulfonylcyclopentyl)acetate (CID 79848202) is methyl 2-(1-amino-2-methylsulfonylcyclopentyl)acetate.
What is the SMILES notation for methyl 2-(1-amino-2-methylsulfonylcyclopentyl)acetate?
The canonical SMILES for methyl 2-(1-amino-2-methylsulfonylcyclopentyl)acetate is COC(=O)CC1(N)CCCC1S(C)(=O)=O.
What is the InChIKey of methyl 2-(1-amino-2-methylsulfonylcyclopentyl)acetate?
The InChIKey is CIQNHILSWUCGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-14-8(11)6-9(10)5-3-4-7(9)15(2,12)13/h7H,3-6,10H2,1-2H3.
What are the key properties of methyl 2-(1-amino-2-methylsulfonylcyclopentyl)acetate?
methyl 2-(1-amino-2-methylsulfonylcyclopentyl)acetate has a molecular weight of 235.30 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-amino-2-methylsulfonylcyclopentyl)acetate is sourced from PubChem (CID 79848202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).