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

C10H18N2O7S — CID 66166288

IUPAC2-hydroxy-3-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]propanoic acid
SMILESCOC(=O)C1CCN(S(=O)(=O)NCC(O)C(=O)O)CC1
InChIInChI=1S/C10H18N2O7S/c1-19-10(16)7-2-4-12(5-3-7)20(17,18)11-6-8(13)9(14)15/h7-8,11,13H,2-6H2,1H3,(H,14,15)
InChIKeyMELDELRNDCQYNM-UHFFFAOYSA-N
MW310.33 g/mol
LogP-1.85
Rot. Bonds6

About 2-hydroxy-3-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]propanoic acid

2-hydroxy-3-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]propanoic acid (PubChem CID 66166288) has the molecular formula C10H18N2O7S and a molecular weight of 310.33 g/mol. Its IUPAC name is 2-hydroxy-3-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]propanoic acid
PubChem CID66166288
Molecular FormulaC10H18N2O7S
Molecular Weight310.33 g/mol
Exact Mass310.08
IUPAC Name2-hydroxy-3-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]propanoic acid
SMILESCOC(=O)C1CCN(S(=O)(=O)NCC(O)C(=O)O)CC1
InChIInChI=1S/C10H18N2O7S/c1-19-10(16)7-2-4-12(5-3-7)20(17,18)11-6-8(13)9(14)15/h7-8,11,13H,2-6H2,1H3,(H,14,15)
InChIKeyMELDELRNDCQYNM-UHFFFAOYSA-N
XLogP-1.85
TPSA133.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 5-1.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]propanoic acid?
The IUPAC name of 2-hydroxy-3-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]propanoic acid (CID 66166288) is 2-hydroxy-3-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]propanoic acid is COC(=O)C1CCN(S(=O)(=O)NCC(O)C(=O)O)CC1.
What is the InChIKey of 2-hydroxy-3-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]propanoic acid?
The InChIKey is MELDELRNDCQYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O7S/c1-19-10(16)7-2-4-12(5-3-7)20(17,18)11-6-8(13)9(14)15/h7-8,11,13H,2-6H2,1H3,(H,14,15).
What are the key properties of 2-hydroxy-3-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]propanoic acid?
2-hydroxy-3-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]propanoic acid has a molecular weight of 310.33 g/mol, XLogP of -1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 66166288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).