(2R,3R,4R)-N-benzyl-3,4-dihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-carboxamide

C14H17NO5 — CID 10755113

IUPAC(2R,3R,4R)-N-benzyl-3,4-dihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NCc1ccccc1)C1=C[C@@H](O)[C@@H](O)[C@@H](CO)O1
InChIInChI=1S/C14H17NO5/c16-8-12-13(18)10(17)6-11(20-12)14(19)15-7-9-4-2-1-3-5-9/h1-6,10,12-13,16-18H,7-8H2,(H,15,19)/t10-,12-,13-/m1/s1
InChIKeyPTBSBSJDQPFONC-RAIGVLPGSA-N
MW279.29 g/mol
LogP-0.70
Rot. Bonds4

About (2R,3R,4R)-N-benzyl-3,4-dihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-carboxamide

(2R,3R,4R)-N-benzyl-3,4-dihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 10755113) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is (2R,3R,4R)-N-benzyl-3,4-dihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2R,3R,4R)-N-benzyl-3,4-dihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID10755113
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name(2R,3R,4R)-N-benzyl-3,4-dihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NCc1ccccc1)C1=C[C@@H](O)[C@@H](O)[C@@H](CO)O1
InChIInChI=1S/C14H17NO5/c16-8-12-13(18)10(17)6-11(20-12)14(19)15-7-9-4-2-1-3-5-9/h1-6,10,12-13,16-18H,7-8H2,(H,15,19)/t10-,12-,13-/m1/s1
InChIKeyPTBSBSJDQPFONC-RAIGVLPGSA-N
XLogP-0.70
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 5-0.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-benzyl-2-[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide
CID 7230651
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
4-N,5-N-dibenzyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazole-4,5-dicarboxamide
CID 10896340
N-benzyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 7732666
N-benzyl-4-(hydroxymethyl)benzamide
CID 4125778
N-benzyl-1-[(2S,3R,4S,5R,6R)-2-[(2S,3R,4S,5R,6R)-4-[4-(benzylcarbamoyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]triazole-4-carboxamide
CID 52941210
1-N-benzyl-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050687
(2R,4R)-N-benzyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide
CID 6666987
(2S,3R,4R)-N-benzyl-4-(4-chlorophenyl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23847145
1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide
CID 70015173
(2S,4S)-N-benzyl-2-(4-hydroxybutoxy)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide
CID 6669383
(2S,3R,4R)-N-benzyl-4-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-N-benzyl-3,4-dihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2R,3R,4R)-N-benzyl-3,4-dihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-carboxamide (CID 10755113) is (2R,3R,4R)-N-benzyl-3,4-dihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2R,3R,4R)-N-benzyl-3,4-dihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2R,3R,4R)-N-benzyl-3,4-dihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-carboxamide is O=C(NCc1ccccc1)C1=C[C@@H](O)[C@@H](O)[C@@H](CO)O1.
What is the InChIKey of (2R,3R,4R)-N-benzyl-3,4-dihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is PTBSBSJDQPFONC-RAIGVLPGSA-N. The full InChI is InChI=1S/C14H17NO5/c16-8-12-13(18)10(17)6-11(20-12)14(19)15-7-9-4-2-1-3-5-9/h1-6,10,12-13,16-18H,7-8H2,(H,15,19)/t10-,12-,13-/m1/s1.
What are the key properties of (2R,3R,4R)-N-benzyl-3,4-dihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-carboxamide?
(2R,3R,4R)-N-benzyl-3,4-dihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 279.29 g/mol, XLogP of -0.70, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-N-benzyl-3,4-dihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 10755113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).