phenyl (3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidine-1-carboxylate

C13H17NO5 — CID 11196412

IUPACphenyl (3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1C[C@H](CO)[C@@H](O)[C@H](O)C1
InChIInChI=1S/C13H17NO5/c15-8-9-6-14(7-11(16)12(9)17)13(18)19-10-4-2-1-3-5-10/h1-5,9,11-12,15-17H,6-8H2/t9-,11-,12-/m1/s1
InChIKeyODSDCZJYFNHTAF-YUSALJHKSA-N
MW267.28 g/mol
LogP-0.17
Rot. Bonds2

About phenyl (3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidine-1-carboxylate

phenyl (3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidine-1-carboxylate (PubChem CID 11196412) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is phenyl (3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namephenyl (3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidine-1-carboxylate
PubChem CID11196412
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Namephenyl (3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1C[C@H](CO)[C@@H](O)[C@H](O)C1
InChIInChI=1S/C13H17NO5/c15-8-9-6-14(7-11(16)12(9)17)13(18)19-10-4-2-1-3-5-10/h1-5,9,11-12,15-17H,6-8H2/t9-,11-,12-/m1/s1
InChIKeyODSDCZJYFNHTAF-YUSALJHKSA-N
XLogP-0.17
TPSA90.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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2-(1-phenoxycarbonylazetidin-3-yl)acetic acid
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phenyl 3-aminopyrrolidine-1-carboxylate
CID 62067214
phenyl 3-(methoxymethyl)pyrrolidine-1-carboxylate
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phenyl 4-(3-methoxypropyl)-3,5-dimethylpiperazine-1-carboxylate
CID 110413023
phenyl (4R)-4-amino-2-azaspiro[4.4]nonane-2-carboxylate
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benzyl (3S,4S)-3-(aminomethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 91666693
benzyl (3S,4S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 46939493

Frequently Asked Questions

What is the IUPAC name of phenyl (3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidine-1-carboxylate?
The IUPAC name of phenyl (3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidine-1-carboxylate (CID 11196412) is phenyl (3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for phenyl (3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidine-1-carboxylate?
The canonical SMILES for phenyl (3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidine-1-carboxylate is O=C(Oc1ccccc1)N1C[C@H](CO)[C@@H](O)[C@H](O)C1.
What is the InChIKey of phenyl (3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidine-1-carboxylate?
The InChIKey is ODSDCZJYFNHTAF-YUSALJHKSA-N. The full InChI is InChI=1S/C13H17NO5/c15-8-9-6-14(7-11(16)12(9)17)13(18)19-10-4-2-1-3-5-10/h1-5,9,11-12,15-17H,6-8H2/t9-,11-,12-/m1/s1.
What are the key properties of phenyl (3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidine-1-carboxylate?
phenyl (3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidine-1-carboxylate has a molecular weight of 267.28 g/mol, XLogP of -0.17, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 11196412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).