benzyl (2S,4R,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate

C14H20N2O4 — CID 10516863

IUPACbenzyl (2S,4R,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate
SMILESN[C@H]1CN(C(=O)OCc2ccccc2)[C@H](CO)C[C@H]1O
InChIInChI=1S/C14H20N2O4/c15-12-7-16(11(8-17)6-13(12)18)14(19)20-9-10-4-2-1-3-5-10/h1-5,11-13,17-18H,6-9,15H2/t11-,12-,13+/m0/s1
InChIKeyUONRYOMIMGHYIX-RWMBFGLXSA-N
MW280.32 g/mol
LogP0.08
Rot. Bonds3

About benzyl (2S,4R,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate

benzyl (2S,4R,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate (PubChem CID 10516863) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is benzyl (2S,4R,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S,4R,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate
PubChem CID10516863
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namebenzyl (2S,4R,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate
SMILESN[C@H]1CN(C(=O)OCc2ccccc2)[C@H](CO)C[C@H]1O
InChIInChI=1S/C14H20N2O4/c15-12-7-16(11(8-17)6-13(12)18)14(19)20-9-10-4-2-1-3-5-10/h1-5,11-13,17-18H,6-9,15H2/t11-,12-,13+/m0/s1
InChIKeyUONRYOMIMGHYIX-RWMBFGLXSA-N
XLogP0.08
TPSA96.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl (2S,4R)-4-amino-2-(hydroxymethyl)pyrrolidine-1-carboxylate;hydrochloride
CID 45072633
benzyl (2S,4S)-2-(hydroxymethyl)-4-(methoxymethyl)pyrrolidine-1-carboxylate
CID 58778890
benzyl (2R,3S)-3-amino-2-methylazetidine-1-carboxylate
CID 170915415
benzyl (2S,4S)-2-hydroxy-4-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 66592753
benzyl (2S)-2-(chloromethyl)aziridine-1-carboxylate
CID 176637455
benzyl 3-amino-5-(hydroxymethyl)-2-phenylpiperidine-1-carboxylate
CID 54001762
(2R,4S)-1-phenylmethoxycarbonylpyrrolidine-2,4-dicarboxylic acid
CID 18391508
1-O-benzyl 3-O-methyl (3R,6S)-6-(hydroxymethyl)piperidine-1,3-dicarboxylate
CID 71225946
benzyl (2S,5R)-2-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 58908385
benzyl 2-(hydroxymethyl)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]pyrrolidine-1-carboxylate
CID 73323760
benzyl (1S,4S)-5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 166058020
benzyl 2-(aminomethyl)-4-sulfanylpyrrolidine-1-carboxylate
CID 150434246

Frequently Asked Questions

What is the IUPAC name of benzyl (2S,4R,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate?
The IUPAC name of benzyl (2S,4R,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate (CID 10516863) is benzyl (2S,4R,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl (2S,4R,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl (2S,4R,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate is N[C@H]1CN(C(=O)OCc2ccccc2)[C@H](CO)C[C@H]1O.
What is the InChIKey of benzyl (2S,4R,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate?
The InChIKey is UONRYOMIMGHYIX-RWMBFGLXSA-N. The full InChI is InChI=1S/C14H20N2O4/c15-12-7-16(11(8-17)6-13(12)18)14(19)20-9-10-4-2-1-3-5-10/h1-5,11-13,17-18H,6-9,15H2/t11-,12-,13+/m0/s1.
What are the key properties of benzyl (2S,4R,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate?
benzyl (2S,4R,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate has a molecular weight of 280.32 g/mol, XLogP of 0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S,4R,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 10516863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).