2-(aminomethyl)-2-(2-ethylsulfonylethyl)-4-methylpentanoic acid

C11H23NO4S — CID 106489134

IUPAC2-(aminomethyl)-2-(2-ethylsulfonylethyl)-4-methylpentanoic acid
SMILESCCS(=O)(=O)CCC(CN)(CC(C)C)C(=O)O
InChIInChI=1S/C11H23NO4S/c1-4-17(15,16)6-5-11(8-12,10(13)14)7-9(2)3/h9H,4-8,12H2,1-3H3,(H,13,14)
InChIKeyNRFMVSGGBHYCSP-UHFFFAOYSA-N
MW265.37 g/mol
LogP0.89
Rot. Bonds8

About 2-(aminomethyl)-2-(2-ethylsulfonylethyl)-4-methylpentanoic acid

2-(aminomethyl)-2-(2-ethylsulfonylethyl)-4-methylpentanoic acid (PubChem CID 106489134) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(2-ethylsulfonylethyl)-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-(2-ethylsulfonylethyl)-4-methylpentanoic acid
PubChem CID106489134
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Name2-(aminomethyl)-2-(2-ethylsulfonylethyl)-4-methylpentanoic acid
SMILESCCS(=O)(=O)CCC(CN)(CC(C)C)C(=O)O
InChIInChI=1S/C11H23NO4S/c1-4-17(15,16)6-5-11(8-12,10(13)14)7-9(2)3/h9H,4-8,12H2,1-3H3,(H,13,14)
InChIKeyNRFMVSGGBHYCSP-UHFFFAOYSA-N
XLogP0.89
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-2-ethyl-4-ethylsulfonylbutanoic acid
CID 106487495
2-(aminomethyl)-2-(2-hydroxyethyl)-4-methylpentanoic acid
CID 106488991
2-(aminomethyl)-2-(3-fluoropropyl)-4-methylpentanoic acid
CID 106489017
2-(aminomethyl)-2-ethyl-4-propylsulfonylbutanoic acid
CID 106737054
2-(aminomethyl)-2-(2,2-difluoroethyl)-4-methylpentanoic acid
CID 106488966
2-(aminomethyl)-4-methyl-2-(2,2,2-trifluoroethoxymethyl)pentanoic acid
CID 106706834
2-(aminomethyl)-2-[(3,5-dimethylphenyl)methyl]-4-methylpentanoic acid
CID 106489052
2-(aminomethyl)-4-methyl-2-(pyrimidin-2-ylmethyl)pentanoic acid
CID 106489036
2-ethoxycarbonyl-4-methyl-2-(2-methylsulfonylethyl)pentanoic acid
CID 113360390
2-amino-2-(aminomethyl)-4-methylpentanoic acid
CID 11019164
2-(aminomethyl)-2,4-dimethylpentanoic acid
CID 106487145
1-ethylsulfonyl-6-methyl-4-(2-methylpropyl)heptan-4-ol
CID 114865370

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(2-ethylsulfonylethyl)-4-methylpentanoic acid?
The IUPAC name of 2-(aminomethyl)-2-(2-ethylsulfonylethyl)-4-methylpentanoic acid (CID 106489134) is 2-(aminomethyl)-2-(2-ethylsulfonylethyl)-4-methylpentanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-(2-ethylsulfonylethyl)-4-methylpentanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-(2-ethylsulfonylethyl)-4-methylpentanoic acid is CCS(=O)(=O)CCC(CN)(CC(C)C)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-2-(2-ethylsulfonylethyl)-4-methylpentanoic acid?
The InChIKey is NRFMVSGGBHYCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-4-17(15,16)6-5-11(8-12,10(13)14)7-9(2)3/h9H,4-8,12H2,1-3H3,(H,13,14).
What are the key properties of 2-(aminomethyl)-2-(2-ethylsulfonylethyl)-4-methylpentanoic acid?
2-(aminomethyl)-2-(2-ethylsulfonylethyl)-4-methylpentanoic acid has a molecular weight of 265.37 g/mol, XLogP of 0.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(2-ethylsulfonylethyl)-4-methylpentanoic acid is sourced from PubChem (CID 106489134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).