methyl 2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]acetate

C8H16N2O3 — CID 10655222

IUPACmethyl 2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]acetate
SMILESCOC(=O)CN1CC[C@@H](N)[C@@H](O)C1
InChIInChI=1S/C8H16N2O3/c1-13-8(12)5-10-3-2-6(9)7(11)4-10/h6-7,11H,2-5,9H2,1H3/t6-,7+/m1/s1
InChIKeyATTUGQGVTYPGDI-RQJHMYQMSA-N
MW188.23 g/mol
LogP-1.45
Rot. Bonds2

About methyl 2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]acetate

methyl 2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]acetate (PubChem CID 10655222) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is methyl 2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]acetate
PubChem CID10655222
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Namemethyl 2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]acetate
SMILESCOC(=O)CN1CC[C@@H](N)[C@@H](O)C1
InChIInChI=1S/C8H16N2O3/c1-13-8(12)5-10-3-2-6(9)7(11)4-10/h6-7,11H,2-5,9H2,1H3/t6-,7+/m1/s1
InChIKeyATTUGQGVTYPGDI-RQJHMYQMSA-N
XLogP-1.45
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-1.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]acetate?
The IUPAC name of methyl 2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]acetate (CID 10655222) is methyl 2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]acetate?
The canonical SMILES for methyl 2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]acetate is COC(=O)CN1CC[C@@H](N)[C@@H](O)C1.
What is the InChIKey of methyl 2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]acetate?
The InChIKey is ATTUGQGVTYPGDI-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-13-8(12)5-10-3-2-6(9)7(11)4-10/h6-7,11H,2-5,9H2,1H3/t6-,7+/m1/s1.
What are the key properties of methyl 2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]acetate?
methyl 2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]acetate has a molecular weight of 188.23 g/mol, XLogP of -1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]acetate is sourced from PubChem (CID 10655222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).