4-amino-2-[(2-methylpiperidin-1-yl)sulfonylamino]-4-oxobutanoic acid

C10H19N3O5S — CID 43210817

IUPAC4-amino-2-[(2-methylpiperidin-1-yl)sulfonylamino]-4-oxobutanoic acid
SMILESCC1CCCCN1S(=O)(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C10H19N3O5S/c1-7-4-2-3-5-13(7)19(17,18)12-8(10(15)16)6-9(11)14/h7-8,12H,2-6H2,1H3,(H2,11,14)(H,15,16)
InChIKeyBZRITLGXGURBAR-UHFFFAOYSA-N
MW293.35 g/mol
LogP-0.98
Rot. Bonds6

About 4-amino-2-[(2-methylpiperidin-1-yl)sulfonylamino]-4-oxobutanoic acid

4-amino-2-[(2-methylpiperidin-1-yl)sulfonylamino]-4-oxobutanoic acid (PubChem CID 43210817) has the molecular formula C10H19N3O5S and a molecular weight of 293.35 g/mol. Its IUPAC name is 4-amino-2-[(2-methylpiperidin-1-yl)sulfonylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[(2-methylpiperidin-1-yl)sulfonylamino]-4-oxobutanoic acid
PubChem CID43210817
Molecular FormulaC10H19N3O5S
Molecular Weight293.35 g/mol
Exact Mass293.10
IUPAC Name4-amino-2-[(2-methylpiperidin-1-yl)sulfonylamino]-4-oxobutanoic acid
SMILESCC1CCCCN1S(=O)(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C10H19N3O5S/c1-7-4-2-3-5-13(7)19(17,18)12-8(10(15)16)6-9(11)14/h7-8,12H,2-6H2,1H3,(H2,11,14)(H,15,16)
InChIKeyBZRITLGXGURBAR-UHFFFAOYSA-N
XLogP-0.98
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-2-[(2-methylpiperidin-1-yl)sulfonylamino]propanoic acid
CID 81078480
2-[(2-methylpiperidin-1-yl)sulfonylamino]-4-methylsulfonylbutanoic acid
CID 43094969
3-methyl-2-[(2-methylpyrrolidin-1-yl)sulfonylamino]butanoic acid
CID 122067923
(2S)-N-[(2R)-butan-2-yl]-2-methylpiperidine-1-sulfonamide
CID 95277876
N-(4-hydroxypentan-2-yl)-2-methylpiperidine-1-sulfonamide
CID 113376619
N-(1-amino-3,3-dimethylbutan-2-yl)-2-methylpiperidine-1-sulfonamide
CID 114208118
2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64817232
(2R)-N-tert-butyl-2-[[(2R)-2-methylpiperidin-1-yl]sulfonylamino]propanamide
CID 124727544
2-[(2-methylpiperidin-1-yl)sulfonylamino]-2-phenylethanethioamide
CID 61123891
(2R)-4-amino-2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]-4-oxobutanoic acid
CID 107828718
N-cyclohexyl-2-methylpiperidine-1-sulfonamide
CID 47164661
(2S)-N-cyclooctyl-2-methylpiperidine-1-sulfonamide
CID 35294415

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(2-methylpiperidin-1-yl)sulfonylamino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[(2-methylpiperidin-1-yl)sulfonylamino]-4-oxobutanoic acid (CID 43210817) is 4-amino-2-[(2-methylpiperidin-1-yl)sulfonylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[(2-methylpiperidin-1-yl)sulfonylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[(2-methylpiperidin-1-yl)sulfonylamino]-4-oxobutanoic acid is CC1CCCCN1S(=O)(=O)NC(CC(N)=O)C(=O)O.
What is the InChIKey of 4-amino-2-[(2-methylpiperidin-1-yl)sulfonylamino]-4-oxobutanoic acid?
The InChIKey is BZRITLGXGURBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O5S/c1-7-4-2-3-5-13(7)19(17,18)12-8(10(15)16)6-9(11)14/h7-8,12H,2-6H2,1H3,(H2,11,14)(H,15,16).
What are the key properties of 4-amino-2-[(2-methylpiperidin-1-yl)sulfonylamino]-4-oxobutanoic acid?
4-amino-2-[(2-methylpiperidin-1-yl)sulfonylamino]-4-oxobutanoic acid has a molecular weight of 293.35 g/mol, XLogP of -0.98, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(2-methylpiperidin-1-yl)sulfonylamino]-4-oxobutanoic acid is sourced from PubChem (CID 43210817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).