3-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]propanoic acid

C10H18N2O6S — CID 43173163

IUPAC3-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]propanoic acid
SMILESCOC(=O)C1CCN(S(=O)(=O)NCCC(=O)O)CC1
InChIInChI=1S/C10H18N2O6S/c1-18-10(15)8-3-6-12(7-4-8)19(16,17)11-5-2-9(13)14/h8,11H,2-7H2,1H3,(H,13,14)
InChIKeyVVPSUOLJFKHZSY-UHFFFAOYSA-N
MW294.33 g/mol
LogP-0.82
Rot. Bonds6

About 3-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]propanoic acid

3-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]propanoic acid (PubChem CID 43173163) has the molecular formula C10H18N2O6S and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]propanoic acid
PubChem CID43173163
Molecular FormulaC10H18N2O6S
Molecular Weight294.33 g/mol
Exact Mass294.09
IUPAC Name3-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]propanoic acid
SMILESCOC(=O)C1CCN(S(=O)(=O)NCCC(=O)O)CC1
InChIInChI=1S/C10H18N2O6S/c1-18-10(15)8-3-6-12(7-4-8)19(16,17)11-5-2-9(13)14/h8,11H,2-7H2,1H3,(H,13,14)
InChIKeyVVPSUOLJFKHZSY-UHFFFAOYSA-N
XLogP-0.82
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]propanoic acid?
The IUPAC name of 3-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]propanoic acid (CID 43173163) is 3-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]propanoic acid?
The canonical SMILES for 3-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]propanoic acid is COC(=O)C1CCN(S(=O)(=O)NCCC(=O)O)CC1.
What is the InChIKey of 3-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]propanoic acid?
The InChIKey is VVPSUOLJFKHZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O6S/c1-18-10(15)8-3-6-12(7-4-8)19(16,17)11-5-2-9(13)14/h8,11H,2-7H2,1H3,(H,13,14).
What are the key properties of 3-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]propanoic acid?
3-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]propanoic acid has a molecular weight of 294.33 g/mol, XLogP of -0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 43173163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).