methyl 3,4-dihydroxypiperidine-1-carboxylate

C7H13NO4 — CID 12575843

IUPACmethyl 3,4-dihydroxypiperidine-1-carboxylate
SMILESCOC(=O)N1CCC(O)C(O)C1
InChIInChI=1S/C7H13NO4/c1-12-7(11)8-3-2-5(9)6(10)4-8/h5-6,9-10H,2-4H2,1H3
InChIKeyZUYMXDQVHGXYTA-UHFFFAOYSA-N
MW175.18 g/mol
LogP-0.82
Rot. Bonds

About methyl 3,4-dihydroxypiperidine-1-carboxylate

methyl 3,4-dihydroxypiperidine-1-carboxylate (PubChem CID 12575843) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is methyl 3,4-dihydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3,4-dihydroxypiperidine-1-carboxylate
PubChem CID12575843
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Namemethyl 3,4-dihydroxypiperidine-1-carboxylate
SMILESCOC(=O)N1CCC(O)C(O)C1
InChIInChI=1S/C7H13NO4/c1-12-7(11)8-3-2-5(9)6(10)4-8/h5-6,9-10H,2-4H2,1H3
InChIKeyZUYMXDQVHGXYTA-UHFFFAOYSA-N
XLogP-0.82
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl 3-hydroxypiperidine-1,4-dicarboxylate
CID 122573790
methyl (3S,4R)-3-ethenyl-4-hydroxypiperidine-1-carboxylate
CID 15778473
methyl (3R)-3-methoxypyrrolidine-1-carboxylate
CID 123673110
methyl (3S)-3-methoxypyrrolidine-1-carboxylate
CID 58826696
methyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate
CID 130738551
methyl 3-carbamoylpyrrolidine-1-carboxylate
CID 103623470
1-(3,4-dihydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 118217486
methyl 3-acetylpiperidine-1-carboxylate
CID 59841149
methyl 4-bromopiperidine-1-carboxylate
CID 174906499
methyl (3S)-3-[(Z)-3-hydroxybut-2-en-2-yl]pyrrolidine-1-carboxylate
CID 142072682
methyl (1S,6S)-7,7-dibromo-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 130758105
methyl 8-azabicyclo[4.3.2]undecane-8-carboxylate
CID 90845104

Frequently Asked Questions

What is the IUPAC name of methyl 3,4-dihydroxypiperidine-1-carboxylate?
The IUPAC name of methyl 3,4-dihydroxypiperidine-1-carboxylate (CID 12575843) is methyl 3,4-dihydroxypiperidine-1-carboxylate.
What is the SMILES notation for methyl 3,4-dihydroxypiperidine-1-carboxylate?
The canonical SMILES for methyl 3,4-dihydroxypiperidine-1-carboxylate is COC(=O)N1CCC(O)C(O)C1.
What is the InChIKey of methyl 3,4-dihydroxypiperidine-1-carboxylate?
The InChIKey is ZUYMXDQVHGXYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-12-7(11)8-3-2-5(9)6(10)4-8/h5-6,9-10H,2-4H2,1H3.
What are the key properties of methyl 3,4-dihydroxypiperidine-1-carboxylate?
methyl 3,4-dihydroxypiperidine-1-carboxylate has a molecular weight of 175.18 g/mol, XLogP of -0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,4-dihydroxypiperidine-1-carboxylate is sourced from PubChem (CID 12575843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).