2-methylsulfonyl-1-(propylamino)cyclopentane-1-carboxylic acid

C10H19NO4S — CID 65045017

IUPAC2-methylsulfonyl-1-(propylamino)cyclopentane-1-carboxylic acid
SMILESCCCNC1(C(=O)O)CCCC1S(C)(=O)=O
InChIInChI=1S/C10H19NO4S/c1-3-7-11-10(9(12)13)6-4-5-8(10)16(2,14)15/h8,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyZDPSQIYBKIVVPJ-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.41
Rot. Bonds5

About 2-methylsulfonyl-1-(propylamino)cyclopentane-1-carboxylic acid

2-methylsulfonyl-1-(propylamino)cyclopentane-1-carboxylic acid (PubChem CID 65045017) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-methylsulfonyl-1-(propylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-methylsulfonyl-1-(propylamino)cyclopentane-1-carboxylic acid
PubChem CID65045017
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name2-methylsulfonyl-1-(propylamino)cyclopentane-1-carboxylic acid
SMILESCCCNC1(C(=O)O)CCCC1S(C)(=O)=O
InChIInChI=1S/C10H19NO4S/c1-3-7-11-10(9(12)13)6-4-5-8(10)16(2,14)15/h8,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyZDPSQIYBKIVVPJ-UHFFFAOYSA-N
XLogP0.41
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methylsulfonyl-1-(propylamino)cyclopentyl]acetic acid
CID 65233577
2-[2-[methyl(propan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79577889
2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79577082
2-[2-(2-hydroxyethylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79587670
2-[2-[methyl(3-methylbutan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79566081
2-[2-[butyl(ethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79576826
2-[2-(1-methoxypropan-2-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79587363
2-(2-morpholin-4-ylethyl)-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79575876
1-(propylamino)cycloheptane-1-carboxylic acid
CID 43754029
ethyl 1-(butan-2-ylamino)-2-methylsulfonylcyclopentane-1-carboxylate
CID 65044720
2-methyl-3-(propylamino)oxolane-3-carboxylic acid
CID 82718479
2-[2-[ethyl(2-methoxyethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79565480

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-(propylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-methylsulfonyl-1-(propylamino)cyclopentane-1-carboxylic acid (CID 65045017) is 2-methylsulfonyl-1-(propylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-methylsulfonyl-1-(propylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-methylsulfonyl-1-(propylamino)cyclopentane-1-carboxylic acid is CCCNC1(C(=O)O)CCCC1S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonyl-1-(propylamino)cyclopentane-1-carboxylic acid?
The InChIKey is ZDPSQIYBKIVVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-3-7-11-10(9(12)13)6-4-5-8(10)16(2,14)15/h8,11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-methylsulfonyl-1-(propylamino)cyclopentane-1-carboxylic acid?
2-methylsulfonyl-1-(propylamino)cyclopentane-1-carboxylic acid has a molecular weight of 249.33 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-(propylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 65045017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).