2-(aminomethyl)-2-cyclopropyl-5-methylsulfonylpentanoic acid

C10H19NO4S — CID 106489655

IUPAC2-(aminomethyl)-2-cyclopropyl-5-methylsulfonylpentanoic acid
SMILESCS(=O)(=O)CCCC(CN)(C(=O)O)C1CC1
InChIInChI=1S/C10H19NO4S/c1-16(14,15)6-2-5-10(7-11,9(12)13)8-3-4-8/h8H,2-7,11H2,1H3,(H,12,13)
InChIKeyDZXGASDGOVESBT-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.25
Rot. Bonds7

About 2-(aminomethyl)-2-cyclopropyl-5-methylsulfonylpentanoic acid

2-(aminomethyl)-2-cyclopropyl-5-methylsulfonylpentanoic acid (PubChem CID 106489655) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-(aminomethyl)-2-cyclopropyl-5-methylsulfonylpentanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-cyclopropyl-5-methylsulfonylpentanoic acid
PubChem CID106489655
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name2-(aminomethyl)-2-cyclopropyl-5-methylsulfonylpentanoic acid
SMILESCS(=O)(=O)CCCC(CN)(C(=O)O)C1CC1
InChIInChI=1S/C10H19NO4S/c1-16(14,15)6-2-5-10(7-11,9(12)13)8-3-4-8/h8H,2-7,11H2,1H3,(H,12,13)
InChIKeyDZXGASDGOVESBT-UHFFFAOYSA-N
XLogP0.25
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-2-cyclopropyl-5-hydroxypentanoic acid
CID 106489638
2-(aminomethyl)-2-cyclopropyl-5-fluoropentanoic acid
CID 106489665
2-(aminomethyl)-2-cyclopropyl-8-hydroxyoctanoic acid
CID 107708251
2-(aminomethyl)-2-cycloheptylpentanoic acid
CID 106488140
2-(aminomethyl)-2-cyclopropyl-4-ethyloctanoic acid
CID 106489741
2-ethyl-2-fluoro-5-methylsulfonylpentan-1-amine
CID 112565951
1-cyclopropyl-5-methylsulfonylpentan-1-one
CID 63351407
2-cyclopropyl-4-methylsulfonylbutan-2-ol
CID 65146998
2-(aminomethyl)-2-(4-fluorophenyl)-5-methylsulfonylpentanoic acid
CID 106490929
4-tert-butyl-2-(3-methylsulfonylpropyl)cyclohexane-1-carboxylic acid
CID 81020996
2-(aminomethyl)-2-cyclopropyl-4-pyridin-3-ylbutanoic acid
CID 106489691
3-amino-2-cyclobutyl-2-cyclopropylpropanoic acid
CID 106489641

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-cyclopropyl-5-methylsulfonylpentanoic acid?
The IUPAC name of 2-(aminomethyl)-2-cyclopropyl-5-methylsulfonylpentanoic acid (CID 106489655) is 2-(aminomethyl)-2-cyclopropyl-5-methylsulfonylpentanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-cyclopropyl-5-methylsulfonylpentanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-cyclopropyl-5-methylsulfonylpentanoic acid is CS(=O)(=O)CCCC(CN)(C(=O)O)C1CC1.
What is the InChIKey of 2-(aminomethyl)-2-cyclopropyl-5-methylsulfonylpentanoic acid?
The InChIKey is DZXGASDGOVESBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-16(14,15)6-2-5-10(7-11,9(12)13)8-3-4-8/h8H,2-7,11H2,1H3,(H,12,13).
What are the key properties of 2-(aminomethyl)-2-cyclopropyl-5-methylsulfonylpentanoic acid?
2-(aminomethyl)-2-cyclopropyl-5-methylsulfonylpentanoic acid has a molecular weight of 249.33 g/mol, XLogP of 0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-cyclopropyl-5-methylsulfonylpentanoic acid is sourced from PubChem (CID 106489655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).