(2R,3S)-2,3-dihydroxy-3-[(2R)-oxiran-2-yl]propanamide

C5H9NO4 — CID 55283902

IUPAC(2R,3S)-2,3-dihydroxy-3-[(2R)-oxiran-2-yl]propanamide
SMILESNC(=O)[C@H](O)[C@H](O)[C@H]1CO1
InChIInChI=1S/C5H9NO4/c6-5(9)4(8)3(7)2-1-10-2/h2-4,7-8H,1H2,(H2,6,9)/t2-,3-,4-/m1/s1
InChIKeyHIIYJXXDTDUFPQ-BXXZVTAOSA-N
MW147.13 g/mol
LogP-2.41
Rot. Bonds3

About (2R,3S)-2,3-dihydroxy-3-[(2R)-oxiran-2-yl]propanamide

(2R,3S)-2,3-dihydroxy-3-[(2R)-oxiran-2-yl]propanamide (PubChem CID 55283902) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is (2R,3S)-2,3-dihydroxy-3-[(2R)-oxiran-2-yl]propanamide.

Molecular Properties

Compound Name(2R,3S)-2,3-dihydroxy-3-[(2R)-oxiran-2-yl]propanamide
PubChem CID55283902
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Name(2R,3S)-2,3-dihydroxy-3-[(2R)-oxiran-2-yl]propanamide
SMILESNC(=O)[C@H](O)[C@H](O)[C@H]1CO1
InChIInChI=1S/C5H9NO4/c6-5(9)4(8)3(7)2-1-10-2/h2-4,7-8H,1H2,(H2,6,9)/t2-,3-,4-/m1/s1
InChIKeyHIIYJXXDTDUFPQ-BXXZVTAOSA-N
XLogP-2.41
TPSA96.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-2.41
H-Bond Donors ≤ 53
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)-2,3-dihydroxy-3-[(2R)-oxiran-2-yl]propanamide?
The IUPAC name of (2R,3S)-2,3-dihydroxy-3-[(2R)-oxiran-2-yl]propanamide (CID 55283902) is (2R,3S)-2,3-dihydroxy-3-[(2R)-oxiran-2-yl]propanamide.
What is the SMILES notation for (2R,3S)-2,3-dihydroxy-3-[(2R)-oxiran-2-yl]propanamide?
The canonical SMILES for (2R,3S)-2,3-dihydroxy-3-[(2R)-oxiran-2-yl]propanamide is NC(=O)[C@H](O)[C@H](O)[C@H]1CO1.
What is the InChIKey of (2R,3S)-2,3-dihydroxy-3-[(2R)-oxiran-2-yl]propanamide?
The InChIKey is HIIYJXXDTDUFPQ-BXXZVTAOSA-N. The full InChI is InChI=1S/C5H9NO4/c6-5(9)4(8)3(7)2-1-10-2/h2-4,7-8H,1H2,(H2,6,9)/t2-,3-,4-/m1/s1.
What are the key properties of (2R,3S)-2,3-dihydroxy-3-[(2R)-oxiran-2-yl]propanamide?
(2R,3S)-2,3-dihydroxy-3-[(2R)-oxiran-2-yl]propanamide has a molecular weight of 147.13 g/mol, XLogP of -2.41, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3-dihydroxy-3-[(2R)-oxiran-2-yl]propanamide is sourced from PubChem (CID 55283902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).