(2S,3R,4R,5R)-N-cyclopropyl-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide

C9H15NO5 — CID 68761253

IUPAC(2S,3R,4R,5R)-N-cyclopropyl-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide
SMILESO=C(NC1CC1)[C@H]1O[C@H](CO)[C@H](O)[C@H]1O
InChIInChI=1S/C9H15NO5/c11-3-5-6(12)7(13)8(15-5)9(14)10-4-1-2-4/h4-8,11-13H,1-3H2,(H,10,14)/t5-,6+,7-,8+/m1/s1
InChIKeyUJPQJKZYZGFSTD-CWKFCGSDSA-N
MW217.22 g/mol
LogP-2.25
Rot. Bonds3

About (2S,3R,4R,5R)-N-cyclopropyl-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide

(2S,3R,4R,5R)-N-cyclopropyl-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide (PubChem CID 68761253) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is (2S,3R,4R,5R)-N-cyclopropyl-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,3R,4R,5R)-N-cyclopropyl-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide
PubChem CID68761253
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name(2S,3R,4R,5R)-N-cyclopropyl-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide
SMILESO=C(NC1CC1)[C@H]1O[C@H](CO)[C@H](O)[C@H]1O
InChIInChI=1S/C9H15NO5/c11-3-5-6(12)7(13)8(15-5)9(14)10-4-1-2-4/h4-8,11-13H,1-3H2,(H,10,14)/t5-,6+,7-,8+/m1/s1
InChIKeyUJPQJKZYZGFSTD-CWKFCGSDSA-N
XLogP-2.25
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-2.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2S,3R,4R,5R)-N-cyclopropyl-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide with MolForge

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Related Compounds

N-(2-Hydroxyethyl)hexonamide
CID 226311
N-Gluconyl ethanolamine
CID 53778435
N-(3-Methoxypropyl)-D-gluconamide
CID 130850
(2S,3S,4S,5R)-3,4,5-trihydroxy-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-(hydroxymethyl)oxolane-2-carboxamide
CID 127036595
(2S,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]oxolane-2-carboxamide
CID 127036951
(2S,3S,4S,5R)-3,4,5-trihydroxy-N-(2-hydroxyethyl)-5-(hydroxymethyl)oxolane-2-carboxamide
CID 127037128
(2S,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)-N-(3-hydroxypropyl)oxolane-2-carboxamide
CID 127037129
N-[5-(1,2-dihydroxyethyl)-4-hydroxy-2-oxooxolan-3-yl]acetamide
CID 230397
(2S)-3,4,5-trihydroxy-N-(2-hydroxyethyl)-6-(hydroxymethyl)oxane-2-carboxamide
CID 44335204
(2R)-3,4,5-trihydroxy-N-(2-hydroxyethyl)-6-(hydroxymethyl)oxane-2-carboxamide
CID 44335507
(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-N-(2-hydroxyethyl)-6-(hydroxymethyl)oxane-2-carboxamide
CID 44354543
(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-N-(2-hydroxyethyl)-6-(hydroxymethyl)oxane-2-carboxamide
CID 44354845

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R)-N-cyclopropyl-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide?
The IUPAC name of (2S,3R,4R,5R)-N-cyclopropyl-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide (CID 68761253) is (2S,3R,4R,5R)-N-cyclopropyl-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,3R,4R,5R)-N-cyclopropyl-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide?
The canonical SMILES for (2S,3R,4R,5R)-N-cyclopropyl-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide is O=C(NC1CC1)[C@H]1O[C@H](CO)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4R,5R)-N-cyclopropyl-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide?
The InChIKey is UJPQJKZYZGFSTD-CWKFCGSDSA-N. The full InChI is InChI=1S/C9H15NO5/c11-3-5-6(12)7(13)8(15-5)9(14)10-4-1-2-4/h4-8,11-13H,1-3H2,(H,10,14)/t5-,6+,7-,8+/m1/s1.
What are the key properties of (2S,3R,4R,5R)-N-cyclopropyl-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide?
(2S,3R,4R,5R)-N-cyclopropyl-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide has a molecular weight of 217.22 g/mol, XLogP of -2.25, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R)-N-cyclopropyl-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide is sourced from PubChem (CID 68761253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).