3-[cyclopropyl-(2-methylsulfonylcyclopentyl)amino]propanoic acid

C12H21NO4S — CID 65059053

IUPAC3-[cyclopropyl-(2-methylsulfonylcyclopentyl)amino]propanoic acid
SMILESCS(=O)(=O)C1CCCC1N(CCC(=O)O)C1CC1
InChIInChI=1S/C12H21NO4S/c1-18(16,17)11-4-2-3-10(11)13(9-5-6-9)8-7-12(14)15/h9-11H,2-8H2,1H3,(H,14,15)
InChIKeyOJGKOGFRARCRTG-UHFFFAOYSA-N
MW275.37 g/mol
LogP0.89
Rot. Bonds6

About 3-[cyclopropyl-(2-methylsulfonylcyclopentyl)amino]propanoic acid

3-[cyclopropyl-(2-methylsulfonylcyclopentyl)amino]propanoic acid (PubChem CID 65059053) has the molecular formula C12H21NO4S and a molecular weight of 275.37 g/mol. Its IUPAC name is 3-[cyclopropyl-(2-methylsulfonylcyclopentyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-(2-methylsulfonylcyclopentyl)amino]propanoic acid
PubChem CID65059053
Molecular FormulaC12H21NO4S
Molecular Weight275.37 g/mol
Exact Mass275.12
IUPAC Name3-[cyclopropyl-(2-methylsulfonylcyclopentyl)amino]propanoic acid
SMILESCS(=O)(=O)C1CCCC1N(CCC(=O)O)C1CC1
InChIInChI=1S/C12H21NO4S/c1-18(16,17)11-4-2-3-10(11)13(9-5-6-9)8-7-12(14)15/h9-11H,2-8H2,1H3,(H,14,15)
InChIKeyOJGKOGFRARCRTG-UHFFFAOYSA-N
XLogP0.89
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopentyl-(2-methylsulfonylcyclopentyl)amino]acetic acid
CID 65058653
3-[cyclopropyl-(2-methylcyclopentyl)amino]propanoic acid
CID 65059247
4-[methyl-(2-methylsulfonylcyclopentyl)amino]butanoic acid
CID 65068130
3-[cyclopropyl-(2-methylthian-3-yl)amino]propanoic acid
CID 79952185
3-[cyclopropyl-(4,4-dimethylcycloheptyl)amino]propanoic acid
CID 65087501
3-[cyclopropyl-(2,5-dimethylcyclohexyl)amino]propanoic acid
CID 65054451
3-[cyclopropyl-(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid
CID 60845046
3-cyclopropyl-1-methyl-1-[(1R,2R)-2-methylsulfonylcyclopentyl]urea
CID 96535798
3-[cyclopropyl-(1-propan-2-ylpiperidin-4-yl)amino]propanoic acid
CID 65059244
3-[acetyl(cyclopropyl)amino]propanoic acid
CID 60843836
3-[[2-[bis(2-carboxyethyl)amino]cyclohexyl]-(2-carboxyethyl)amino]propanoic acid
CID 19806436
3-[cyclododecyl(methyl)amino]propanoic acid
CID 65063573

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(2-methylsulfonylcyclopentyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-(2-methylsulfonylcyclopentyl)amino]propanoic acid (CID 65059053) is 3-[cyclopropyl-(2-methylsulfonylcyclopentyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-(2-methylsulfonylcyclopentyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-(2-methylsulfonylcyclopentyl)amino]propanoic acid is CS(=O)(=O)C1CCCC1N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl-(2-methylsulfonylcyclopentyl)amino]propanoic acid?
The InChIKey is OJGKOGFRARCRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4S/c1-18(16,17)11-4-2-3-10(11)13(9-5-6-9)8-7-12(14)15/h9-11H,2-8H2,1H3,(H,14,15).
What are the key properties of 3-[cyclopropyl-(2-methylsulfonylcyclopentyl)amino]propanoic acid?
3-[cyclopropyl-(2-methylsulfonylcyclopentyl)amino]propanoic acid has a molecular weight of 275.37 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(2-methylsulfonylcyclopentyl)amino]propanoic acid is sourced from PubChem (CID 65059053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).