benzyl (2S,3R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxyazetidine-1-carboxylate

C13H17NO5 — CID 132603778

IUPACbenzyl (2S,3R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxyazetidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1C[C@@H](O)[C@H]1[C@@H](O)CO
InChIInChI=1S/C13H17NO5/c15-7-11(17)12-10(16)6-14(12)13(18)19-8-9-4-2-1-3-5-9/h1-5,10-12,15-17H,6-8H2/t10-,11+,12+/m1/s1
InChIKeyYXEUVGUDUQTNRS-WOPDTQHZSA-N
MW267.28 g/mol
LogP-0.28
Rot. Bonds4

About benzyl (2S,3R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxyazetidine-1-carboxylate

benzyl (2S,3R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxyazetidine-1-carboxylate (PubChem CID 132603778) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is benzyl (2S,3R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxyazetidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S,3R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxyazetidine-1-carboxylate
PubChem CID132603778
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Namebenzyl (2S,3R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxyazetidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1C[C@@H](O)[C@H]1[C@@H](O)CO
InChIInChI=1S/C13H17NO5/c15-7-11(17)12-10(16)6-14(12)13(18)19-8-9-4-2-1-3-5-9/h1-5,10-12,15-17H,6-8H2/t10-,11+,12+/m1/s1
InChIKeyYXEUVGUDUQTNRS-WOPDTQHZSA-N
XLogP-0.28
TPSA90.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl (2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1,2-dihydroxyethyl]-3-methylpyrrolidine-1-carboxylate
CID 135013795
benzyl 2-(1,3-dihydroxypropyl)pyrrolidine-1-carboxylate
CID 68745520
benzyl (2S,4S)-2-hydroxy-4-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 66592753
(2S,3S,4R)-4-hydroxy-3-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 71294713
benzyl 2-(1-hydroxybutyl)pyrrolidine-1-carboxylate
CID 56976616
benzyl (1S,4S)-5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 166058020
benzyl 2-(2-amino-1-hydroxyethyl)azetidine-1-carboxylate
CID 115006762
benzyl (2S)-2-(chloromethyl)aziridine-1-carboxylate
CID 176637455
(2S,3S,4S)-4-hydroxy-3-phenoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 71294444
benzyl (2R,5R,6R)-5-amino-6-hydroxy-2-methylazepane-1-carboxylate
CID 11521972
benzyl (2S,4R,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate
CID 10516863
benzyl (2R,6R)-5-amino-6-hydroxy-2-methylazepane-1-carboxylate
CID 154193684

Frequently Asked Questions

What is the IUPAC name of benzyl (2S,3R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxyazetidine-1-carboxylate?
The IUPAC name of benzyl (2S,3R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxyazetidine-1-carboxylate (CID 132603778) is benzyl (2S,3R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxyazetidine-1-carboxylate.
What is the SMILES notation for benzyl (2S,3R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxyazetidine-1-carboxylate?
The canonical SMILES for benzyl (2S,3R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxyazetidine-1-carboxylate is O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]1[C@@H](O)CO.
What is the InChIKey of benzyl (2S,3R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxyazetidine-1-carboxylate?
The InChIKey is YXEUVGUDUQTNRS-WOPDTQHZSA-N. The full InChI is InChI=1S/C13H17NO5/c15-7-11(17)12-10(16)6-14(12)13(18)19-8-9-4-2-1-3-5-9/h1-5,10-12,15-17H,6-8H2/t10-,11+,12+/m1/s1.
What are the key properties of benzyl (2S,3R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxyazetidine-1-carboxylate?
benzyl (2S,3R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxyazetidine-1-carboxylate has a molecular weight of 267.28 g/mol, XLogP of -0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S,3R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxyazetidine-1-carboxylate is sourced from PubChem (CID 132603778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).