methyl (2S,3R,4S,5R)-2-amino-3,4,5-trihydroxypiperidine-1-carboxylate

C7H14N2O5 — CID 131067465

IUPACmethyl (2S,3R,4S,5R)-2-amino-3,4,5-trihydroxypiperidine-1-carboxylate
SMILESCOC(=O)N1C[C@@H](O)[C@H](O)[C@H](O)[C@H]1N
InChIInChI=1S/C7H14N2O5/c1-14-7(13)9-2-3(10)4(11)5(12)6(9)8/h3-6,10-12H,2,8H2,1H3/t3-,4+,5+,6+/m1/s1
InChIKeyRZTYKIBTLRTZLJ-VANKVMQKSA-N
MW206.20 g/mol
LogP-2.56
Rot. Bonds

About methyl (2S,3R,4S,5R)-2-amino-3,4,5-trihydroxypiperidine-1-carboxylate

methyl (2S,3R,4S,5R)-2-amino-3,4,5-trihydroxypiperidine-1-carboxylate (PubChem CID 131067465) has the molecular formula C7H14N2O5 and a molecular weight of 206.20 g/mol. Its IUPAC name is methyl (2S,3R,4S,5R)-2-amino-3,4,5-trihydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3R,4S,5R)-2-amino-3,4,5-trihydroxypiperidine-1-carboxylate
PubChem CID131067465
Molecular FormulaC7H14N2O5
Molecular Weight206.20 g/mol
Exact Mass206.09
IUPAC Namemethyl (2S,3R,4S,5R)-2-amino-3,4,5-trihydroxypiperidine-1-carboxylate
SMILESCOC(=O)N1C[C@@H](O)[C@H](O)[C@H](O)[C@H]1N
InChIInChI=1S/C7H14N2O5/c1-14-7(13)9-2-3(10)4(11)5(12)6(9)8/h3-6,10-12H,2,8H2,1H3/t3-,4+,5+,6+/m1/s1
InChIKeyRZTYKIBTLRTZLJ-VANKVMQKSA-N
XLogP-2.56
TPSA116.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-2.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl (2S,5S)-2,5-dimethylpiperazine-1,4-dicarboxylate
CID 756933
methyl 3-aminoazetidine-1-carboxylate
CID 18331259
methyl 2-azabicyclo[2.2.2]octane-2-carboxylate
CID 130165644
methyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate
CID 130738551
(2R,3R,4S,5R)-3,4,5-trihydroxy-2-methoxy-N-methylpiperidine-1-carbothioamide
CID 100992171
methyl (1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate
CID 178070427
methyl 3,4-dihydroxypiperidine-1-carboxylate
CID 12575843
methyl 6-amino-3-azabicyclo[3.1.1]heptane-3-carboxylate
CID 130815114
tert-butyl (3R,4R,5R,6S)-3,4,5,6-tetrahydroxyazepane-1-carboxylate
CID 139845782
ethyl (1S,4S,5R,6R,7R)-4,5-dihydroxy-7-(hydroxymethyl)-2-azabicyclo[4.1.0]heptane-2-carboxylate
CID 177459992
methyl (3aS,7S,7aR)-7-hydroxy-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxylate
CID 124706416
methyl (2R,4S)-4-hydroxy-2-propylpyrrolidine-1-carboxylate
CID 162342085

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R,4S,5R)-2-amino-3,4,5-trihydroxypiperidine-1-carboxylate?
The IUPAC name of methyl (2S,3R,4S,5R)-2-amino-3,4,5-trihydroxypiperidine-1-carboxylate (CID 131067465) is methyl (2S,3R,4S,5R)-2-amino-3,4,5-trihydroxypiperidine-1-carboxylate.
What is the SMILES notation for methyl (2S,3R,4S,5R)-2-amino-3,4,5-trihydroxypiperidine-1-carboxylate?
The canonical SMILES for methyl (2S,3R,4S,5R)-2-amino-3,4,5-trihydroxypiperidine-1-carboxylate is COC(=O)N1C[C@@H](O)[C@H](O)[C@H](O)[C@H]1N.
What is the InChIKey of methyl (2S,3R,4S,5R)-2-amino-3,4,5-trihydroxypiperidine-1-carboxylate?
The InChIKey is RZTYKIBTLRTZLJ-VANKVMQKSA-N. The full InChI is InChI=1S/C7H14N2O5/c1-14-7(13)9-2-3(10)4(11)5(12)6(9)8/h3-6,10-12H,2,8H2,1H3/t3-,4+,5+,6+/m1/s1.
What are the key properties of methyl (2S,3R,4S,5R)-2-amino-3,4,5-trihydroxypiperidine-1-carboxylate?
methyl (2S,3R,4S,5R)-2-amino-3,4,5-trihydroxypiperidine-1-carboxylate has a molecular weight of 206.20 g/mol, XLogP of -2.56, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R,4S,5R)-2-amino-3,4,5-trihydroxypiperidine-1-carboxylate is sourced from PubChem (CID 131067465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).