methyl 4-amino-3-hydroxypiperidine-1-carboxylate

C7H14N2O3 — CID 83679417

IUPACmethyl 4-amino-3-hydroxypiperidine-1-carboxylate
SMILESCOC(=O)N1CCC(N)C(O)C1
InChIInChI=1S/C7H14N2O3/c1-12-7(11)9-3-2-5(8)6(10)4-9/h5-6,10H,2-4,8H2,1H3
InChIKeyNGFLPRVFZPZRHD-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.85
Rot. Bonds

About methyl 4-amino-3-hydroxypiperidine-1-carboxylate

methyl 4-amino-3-hydroxypiperidine-1-carboxylate (PubChem CID 83679417) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is methyl 4-amino-3-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-hydroxypiperidine-1-carboxylate
PubChem CID83679417
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Namemethyl 4-amino-3-hydroxypiperidine-1-carboxylate
SMILESCOC(=O)N1CCC(N)C(O)C1
InChIInChI=1S/C7H14N2O3/c1-12-7(11)9-3-2-5(8)6(10)4-9/h5-6,10H,2-4,8H2,1H3
InChIKeyNGFLPRVFZPZRHD-UHFFFAOYSA-N
XLogP-0.85
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-hydroxypiperidine-1-carboxylate?
The IUPAC name of methyl 4-amino-3-hydroxypiperidine-1-carboxylate (CID 83679417) is methyl 4-amino-3-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for methyl 4-amino-3-hydroxypiperidine-1-carboxylate?
The canonical SMILES for methyl 4-amino-3-hydroxypiperidine-1-carboxylate is COC(=O)N1CCC(N)C(O)C1.
What is the InChIKey of methyl 4-amino-3-hydroxypiperidine-1-carboxylate?
The InChIKey is NGFLPRVFZPZRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-12-7(11)9-3-2-5(8)6(10)4-9/h5-6,10H,2-4,8H2,1H3.
What are the key properties of methyl 4-amino-3-hydroxypiperidine-1-carboxylate?
methyl 4-amino-3-hydroxypiperidine-1-carboxylate has a molecular weight of 174.20 g/mol, XLogP of -0.85, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 83679417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).