(2R)-4-methyl-2-(pyrrolidin-1-ylsulfonylazaniumyl)pentanoate

C10H20N2O4S — CID 28783923

IUPAC(2R)-4-methyl-2-(pyrrolidin-1-ylsulfonylazaniumyl)pentanoate
SMILESCC(C)C[C@@H]([NH2+]S(=O)(=O)N1CCCC1)C(=O)[O-]
InChIInChI=1S/C10H20N2O4S/c1-8(2)7-9(10(13)14)11-17(15,16)12-5-3-4-6-12/h8-9,11H,3-7H2,1-2H3,(H,13,14)/t9-/m1/s1
InChIKeySDWBFLYOGIREDL-SECBINFHSA-N
MW264.35 g/mol
LogP-1.95
Rot. Bonds6

About (2R)-4-methyl-2-(pyrrolidin-1-ylsulfonylazaniumyl)pentanoate

(2R)-4-methyl-2-(pyrrolidin-1-ylsulfonylazaniumyl)pentanoate (PubChem CID 28783923) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is (2R)-4-methyl-2-(pyrrolidin-1-ylsulfonylazaniumyl)pentanoate.

Molecular Properties

Compound Name(2R)-4-methyl-2-(pyrrolidin-1-ylsulfonylazaniumyl)pentanoate
PubChem CID28783923
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name(2R)-4-methyl-2-(pyrrolidin-1-ylsulfonylazaniumyl)pentanoate
SMILESCC(C)C[C@@H]([NH2+]S(=O)(=O)N1CCCC1)C(=O)[O-]
InChIInChI=1S/C10H20N2O4S/c1-8(2)7-9(10(13)14)11-17(15,16)12-5-3-4-6-12/h8-9,11H,3-7H2,1-2H3,(H,13,14)/t9-/m1/s1
InChIKeySDWBFLYOGIREDL-SECBINFHSA-N
XLogP-1.95
TPSA94.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-1.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-methylsulfanyl-2-(pyrrolidin-1-ylsulfonylazaniumyl)butanoate
CID 28783965
(2S)-4-amino-2-[(4-methylpiperidin-1-yl)sulfonylazaniumyl]-4-oxobutanoate
CID 28784235
(2R)-2-(azepan-1-ylsulfonylamino)-4-methylpentanoic acid
CID 28783951
2-(azepan-1-ylsulfonylazaniumyl)acetate
CID 28783547
1-[(2S)-4-methylpentan-2-yl]sulfonylpiperidine
CID 97213735
N-(2-chloro-4-methylpentyl)piperidine-1-sulfonamide
CID 107158249
2-(azocan-1-ylsulfonyl)propanoic acid
CID 61454612
(2S)-2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-4-methylpentanoate
CID 9292221
(2R)-4-methyl-1-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)-2-pyrrol-1-ylpentan-1-one
CID 122169855
4-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxylic acid
CID 63123862
4-methyl-2-piperidin-1-ylpentanoic acid;hydrobromide
CID 70074809
(2S)-4-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]pentanoic acid
CID 122050256

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-(pyrrolidin-1-ylsulfonylazaniumyl)pentanoate?
The IUPAC name of (2R)-4-methyl-2-(pyrrolidin-1-ylsulfonylazaniumyl)pentanoate (CID 28783923) is (2R)-4-methyl-2-(pyrrolidin-1-ylsulfonylazaniumyl)pentanoate.
What is the SMILES notation for (2R)-4-methyl-2-(pyrrolidin-1-ylsulfonylazaniumyl)pentanoate?
The canonical SMILES for (2R)-4-methyl-2-(pyrrolidin-1-ylsulfonylazaniumyl)pentanoate is CC(C)C[C@@H]([NH2+]S(=O)(=O)N1CCCC1)C(=O)[O-].
What is the InChIKey of (2R)-4-methyl-2-(pyrrolidin-1-ylsulfonylazaniumyl)pentanoate?
The InChIKey is SDWBFLYOGIREDL-SECBINFHSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-8(2)7-9(10(13)14)11-17(15,16)12-5-3-4-6-12/h8-9,11H,3-7H2,1-2H3,(H,13,14)/t9-/m1/s1.
What are the key properties of (2R)-4-methyl-2-(pyrrolidin-1-ylsulfonylazaniumyl)pentanoate?
(2R)-4-methyl-2-(pyrrolidin-1-ylsulfonylazaniumyl)pentanoate has a molecular weight of 264.35 g/mol, XLogP of -1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-(pyrrolidin-1-ylsulfonylazaniumyl)pentanoate is sourced from PubChem (CID 28783923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).