(2R,3S)-3-[(R)-hydroxy-[(2R)-oxiran-2-yl]methyl]oxirane-2-carboxamide

C6H9NO4 — CID 131048642

IUPAC(2R,3S)-3-[(R)-hydroxy-[(2R)-oxiran-2-yl]methyl]oxirane-2-carboxamide
SMILESNC(=O)[C@@H]1O[C@H]1[C@H](O)[C@H]1CO1
InChIInChI=1S/C6H9NO4/c7-6(9)5-4(11-5)3(8)2-1-10-2/h2-5,8H,1H2,(H2,7,9)/t2-,3-,4+,5-/m1/s1
InChIKeyVVNAMFIDTHGYCF-SQOUGZDYSA-N
MW159.14 g/mol
LogP-2.00
Rot. Bonds3

About (2R,3S)-3-[(R)-hydroxy-[(2R)-oxiran-2-yl]methyl]oxirane-2-carboxamide

(2R,3S)-3-[(R)-hydroxy-[(2R)-oxiran-2-yl]methyl]oxirane-2-carboxamide (PubChem CID 131048642) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is (2R,3S)-3-[(R)-hydroxy-[(2R)-oxiran-2-yl]methyl]oxirane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-3-[(R)-hydroxy-[(2R)-oxiran-2-yl]methyl]oxirane-2-carboxamide
PubChem CID131048642
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name(2R,3S)-3-[(R)-hydroxy-[(2R)-oxiran-2-yl]methyl]oxirane-2-carboxamide
SMILESNC(=O)[C@@H]1O[C@H]1[C@H](O)[C@H]1CO1
InChIInChI=1S/C6H9NO4/c7-6(9)5-4(11-5)3(8)2-1-10-2/h2-5,8H,1H2,(H2,7,9)/t2-,3-,4+,5-/m1/s1
InChIKeyVVNAMFIDTHGYCF-SQOUGZDYSA-N
XLogP-2.00
TPSA88.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-2.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[(R)-hydroxy-[(2R)-oxiran-2-yl]methyl]oxirane-2-carboxamide?
The IUPAC name of (2R,3S)-3-[(R)-hydroxy-[(2R)-oxiran-2-yl]methyl]oxirane-2-carboxamide (CID 131048642) is (2R,3S)-3-[(R)-hydroxy-[(2R)-oxiran-2-yl]methyl]oxirane-2-carboxamide.
What is the SMILES notation for (2R,3S)-3-[(R)-hydroxy-[(2R)-oxiran-2-yl]methyl]oxirane-2-carboxamide?
The canonical SMILES for (2R,3S)-3-[(R)-hydroxy-[(2R)-oxiran-2-yl]methyl]oxirane-2-carboxamide is NC(=O)[C@@H]1O[C@H]1[C@H](O)[C@H]1CO1.
What is the InChIKey of (2R,3S)-3-[(R)-hydroxy-[(2R)-oxiran-2-yl]methyl]oxirane-2-carboxamide?
The InChIKey is VVNAMFIDTHGYCF-SQOUGZDYSA-N. The full InChI is InChI=1S/C6H9NO4/c7-6(9)5-4(11-5)3(8)2-1-10-2/h2-5,8H,1H2,(H2,7,9)/t2-,3-,4+,5-/m1/s1.
What are the key properties of (2R,3S)-3-[(R)-hydroxy-[(2R)-oxiran-2-yl]methyl]oxirane-2-carboxamide?
(2R,3S)-3-[(R)-hydroxy-[(2R)-oxiran-2-yl]methyl]oxirane-2-carboxamide has a molecular weight of 159.14 g/mol, XLogP of -2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[(R)-hydroxy-[(2R)-oxiran-2-yl]methyl]oxirane-2-carboxamide is sourced from PubChem (CID 131048642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).