(2S,3S)-3-methyl-2-(pyrrolidin-1-ylsulfonylamino)pentanoic acid

C10H20N2O4S — CID 28784129

IUPAC(2S,3S)-3-methyl-2-(pyrrolidin-1-ylsulfonylamino)pentanoic acid
SMILESCC[C@H](C)[C@H](NS(=O)(=O)N1CCCC1)C(=O)O
InChIInChI=1S/C10H20N2O4S/c1-3-8(2)9(10(13)14)11-17(15,16)12-6-4-5-7-12/h8-9,11H,3-7H2,1-2H3,(H,13,14)/t8-,9-/m0/s1
InChIKeyPPGGGRSOZWVGEX-IUCAKERBSA-N
MW264.35 g/mol
LogP0.42
Rot. Bonds6

About (2S,3S)-3-methyl-2-(pyrrolidin-1-ylsulfonylamino)pentanoic acid

(2S,3S)-3-methyl-2-(pyrrolidin-1-ylsulfonylamino)pentanoic acid (PubChem CID 28784129) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-(pyrrolidin-1-ylsulfonylamino)pentanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-(pyrrolidin-1-ylsulfonylamino)pentanoic acid
PubChem CID28784129
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name(2S,3S)-3-methyl-2-(pyrrolidin-1-ylsulfonylamino)pentanoic acid
SMILESCC[C@H](C)[C@H](NS(=O)(=O)N1CCCC1)C(=O)O
InChIInChI=1S/C10H20N2O4S/c1-3-8(2)9(10(13)14)11-17(15,16)12-6-4-5-7-12/h8-9,11H,3-7H2,1-2H3,(H,13,14)/t8-,9-/m0/s1
InChIKeyPPGGGRSOZWVGEX-IUCAKERBSA-N
XLogP0.42
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-methyl-2-(piperidin-1-ylsulfonylamino)pentanoic acid
CID 61173835
(2S,3S)-2-(azetidin-1-ylsulfonylamino)-3-methylpentanoic acid
CID 122069875
(2S,3R)-3-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 28783815
2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 43470011
2-(piperidin-1-ylsulfonylamino)butanoic acid
CID 43470014
(2S)-3-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid
CID 104977898
2-(cyclopentylsulfonylamino)-3-methylpentanoic acid
CID 105360683
(2R)-2-(azepan-1-ylsulfonylamino)-4-methylpentanoic acid
CID 28783951
(2R,3S)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoic acid
CID 51420775
N-(3-oxopentan-2-yl)azepane-1-sulfonamide
CID 64994212
(2S)-2-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]-3-methylbutanoic acid
CID 61136238
(2S,3S)-2-(difluoromethylsulfonylamino)-3-methylpentanoic acid
CID 28606784

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-2-(pyrrolidin-1-ylsulfonylamino)pentanoic acid?
The IUPAC name of (2S,3S)-3-methyl-2-(pyrrolidin-1-ylsulfonylamino)pentanoic acid (CID 28784129) is (2S,3S)-3-methyl-2-(pyrrolidin-1-ylsulfonylamino)pentanoic acid.
What is the SMILES notation for (2S,3S)-3-methyl-2-(pyrrolidin-1-ylsulfonylamino)pentanoic acid?
The canonical SMILES for (2S,3S)-3-methyl-2-(pyrrolidin-1-ylsulfonylamino)pentanoic acid is CC[C@H](C)[C@H](NS(=O)(=O)N1CCCC1)C(=O)O.
What is the InChIKey of (2S,3S)-3-methyl-2-(pyrrolidin-1-ylsulfonylamino)pentanoic acid?
The InChIKey is PPGGGRSOZWVGEX-IUCAKERBSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-3-8(2)9(10(13)14)11-17(15,16)12-6-4-5-7-12/h8-9,11H,3-7H2,1-2H3,(H,13,14)/t8-,9-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-(pyrrolidin-1-ylsulfonylamino)pentanoic acid?
(2S,3S)-3-methyl-2-(pyrrolidin-1-ylsulfonylamino)pentanoic acid has a molecular weight of 264.35 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-2-(pyrrolidin-1-ylsulfonylamino)pentanoic acid is sourced from PubChem (CID 28784129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).