2-[2-methylsulfonyl-1-(propylamino)cyclopentyl]acetic acid

C11H21NO4S — CID 65233577

IUPAC2-[2-methylsulfonyl-1-(propylamino)cyclopentyl]acetic acid
SMILESCCCNC1(CC(=O)O)CCCC1S(C)(=O)=O
InChIInChI=1S/C11H21NO4S/c1-3-7-12-11(8-10(13)14)6-4-5-9(11)17(2,15)16/h9,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyCJERJWUAUXDPEL-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.80
Rot. Bonds6

About 2-[2-methylsulfonyl-1-(propylamino)cyclopentyl]acetic acid

2-[2-methylsulfonyl-1-(propylamino)cyclopentyl]acetic acid (PubChem CID 65233577) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-[2-methylsulfonyl-1-(propylamino)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[2-methylsulfonyl-1-(propylamino)cyclopentyl]acetic acid
PubChem CID65233577
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name2-[2-methylsulfonyl-1-(propylamino)cyclopentyl]acetic acid
SMILESCCCNC1(CC(=O)O)CCCC1S(C)(=O)=O
InChIInChI=1S/C11H21NO4S/c1-3-7-12-11(8-10(13)14)6-4-5-9(11)17(2,15)16/h9,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyCJERJWUAUXDPEL-UHFFFAOYSA-N
XLogP0.80
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfonyl-1-(propylamino)cyclopentane-1-carboxylic acid
CID 65045017
[1-(2-methoxyethylamino)-2-methylsulfonylcyclopentyl]methanol
CID 65049891
1-(aminomethyl)-N-(2-methoxyethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65044744
2-[3-methoxy-1-(propylamino)cyclohexyl]acetic acid
CID 106874590
methyl 2-[2,3-dimethyl-1-(propylamino)cyclohexyl]acetate
CID 65236117
2-[3-ethyl-1-(propylamino)cyclopentyl]acetic acid
CID 65233526
methyl 2-(1-amino-2-methylsulfonylcyclopentyl)acetate
CID 79848202
2-[2,3-dimethyl-1-(methylamino)cyclohexyl]acetic acid
CID 65236824
2-methylsulfonyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylcyclopentan-1-amine
CID 65045364
1-(ethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile
CID 65045168
1-(aminomethyl)-2-methyl-N-propylcyclopentan-1-amine
CID 65045216
[2-(2-propoxyethyl)-1-(propylamino)cyclopentyl]methanol
CID 79581095

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylsulfonyl-1-(propylamino)cyclopentyl]acetic acid?
The IUPAC name of 2-[2-methylsulfonyl-1-(propylamino)cyclopentyl]acetic acid (CID 65233577) is 2-[2-methylsulfonyl-1-(propylamino)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[2-methylsulfonyl-1-(propylamino)cyclopentyl]acetic acid?
The canonical SMILES for 2-[2-methylsulfonyl-1-(propylamino)cyclopentyl]acetic acid is CCCNC1(CC(=O)O)CCCC1S(C)(=O)=O.
What is the InChIKey of 2-[2-methylsulfonyl-1-(propylamino)cyclopentyl]acetic acid?
The InChIKey is CJERJWUAUXDPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-3-7-12-11(8-10(13)14)6-4-5-9(11)17(2,15)16/h9,12H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 2-[2-methylsulfonyl-1-(propylamino)cyclopentyl]acetic acid?
2-[2-methylsulfonyl-1-(propylamino)cyclopentyl]acetic acid has a molecular weight of 263.36 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylsulfonyl-1-(propylamino)cyclopentyl]acetic acid is sourced from PubChem (CID 65233577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).