(2R,3R)-2-acetamido-3-hydroxy-N-prop-2-enylbutanamide

C9H16N2O3 — CID 146035932

IUPAC(2R,3R)-2-acetamido-3-hydroxy-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)[C@H](NC(C)=O)[C@@H](C)O
InChIInChI=1S/C9H16N2O3/c1-4-5-10-9(14)8(6(2)12)11-7(3)13/h4,6,8,12H,1,5H2,2-3H3,(H,10,14)(H,11,13)/t6-,8-/m1/s1
InChIKeySTYVOOMPCLDYII-HTRCEHHLSA-N
MW200.24 g/mol
LogP-0.83
Rot. Bonds5

About (2R,3R)-2-acetamido-3-hydroxy-N-prop-2-enylbutanamide

(2R,3R)-2-acetamido-3-hydroxy-N-prop-2-enylbutanamide (PubChem CID 146035932) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is (2R,3R)-2-acetamido-3-hydroxy-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name(2R,3R)-2-acetamido-3-hydroxy-N-prop-2-enylbutanamide
PubChem CID146035932
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name(2R,3R)-2-acetamido-3-hydroxy-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)[C@H](NC(C)=O)[C@@H](C)O
InChIInChI=1S/C9H16N2O3/c1-4-5-10-9(14)8(6(2)12)11-7(3)13/h4,6,8,12H,1,5H2,2-3H3,(H,10,14)(H,11,13)/t6-,8-/m1/s1
InChIKeySTYVOOMPCLDYII-HTRCEHHLSA-N
XLogP-0.83
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-acetamido-3-hydroxy-N-prop-2-enylbutanamide?
The IUPAC name of (2R,3R)-2-acetamido-3-hydroxy-N-prop-2-enylbutanamide (CID 146035932) is (2R,3R)-2-acetamido-3-hydroxy-N-prop-2-enylbutanamide.
What is the SMILES notation for (2R,3R)-2-acetamido-3-hydroxy-N-prop-2-enylbutanamide?
The canonical SMILES for (2R,3R)-2-acetamido-3-hydroxy-N-prop-2-enylbutanamide is C=CCNC(=O)[C@H](NC(C)=O)[C@@H](C)O.
What is the InChIKey of (2R,3R)-2-acetamido-3-hydroxy-N-prop-2-enylbutanamide?
The InChIKey is STYVOOMPCLDYII-HTRCEHHLSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-4-5-10-9(14)8(6(2)12)11-7(3)13/h4,6,8,12H,1,5H2,2-3H3,(H,10,14)(H,11,13)/t6-,8-/m1/s1.
What are the key properties of (2R,3R)-2-acetamido-3-hydroxy-N-prop-2-enylbutanamide?
(2R,3R)-2-acetamido-3-hydroxy-N-prop-2-enylbutanamide has a molecular weight of 200.24 g/mol, XLogP of -0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-acetamido-3-hydroxy-N-prop-2-enylbutanamide is sourced from PubChem (CID 146035932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).