(2R)-2-acetamido-N-benzyl-3-hydroxypropanamide

C12H16N2O3 — CID 10889901

IUPAC(2R)-2-acetamido-N-benzyl-3-hydroxypropanamide
SMILESCC(=O)N[C@H](CO)C(=O)NCc1ccccc1
InChIInChI=1S/C12H16N2O3/c1-9(16)14-11(8-15)12(17)13-7-10-5-3-2-4-6-10/h2-6,11,15H,7-8H2,1H3,(H,13,17)(H,14,16)/t11-/m1/s1
InChIKeyXRKSCJLQKGLSKU-LLVKDONJSA-N
MW236.27 g/mol
LogP-0.20
Rot. Bonds5

About (2R)-2-acetamido-N-benzyl-3-hydroxypropanamide

(2R)-2-acetamido-N-benzyl-3-hydroxypropanamide (PubChem CID 10889901) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (2R)-2-acetamido-N-benzyl-3-hydroxypropanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-benzyl-3-hydroxypropanamide
PubChem CID10889901
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(2R)-2-acetamido-N-benzyl-3-hydroxypropanamide
SMILESCC(=O)N[C@H](CO)C(=O)NCc1ccccc1
InChIInChI=1S/C12H16N2O3/c1-9(16)14-11(8-15)12(17)13-7-10-5-3-2-4-6-10/h2-6,11,15H,7-8H2,1H3,(H,13,17)(H,14,16)/t11-/m1/s1
InChIKeyXRKSCJLQKGLSKU-LLVKDONJSA-N
XLogP-0.20
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N-benzyl-3-hydroxypropanamide?
The IUPAC name of (2R)-2-acetamido-N-benzyl-3-hydroxypropanamide (CID 10889901) is (2R)-2-acetamido-N-benzyl-3-hydroxypropanamide.
What is the SMILES notation for (2R)-2-acetamido-N-benzyl-3-hydroxypropanamide?
The canonical SMILES for (2R)-2-acetamido-N-benzyl-3-hydroxypropanamide is CC(=O)N[C@H](CO)C(=O)NCc1ccccc1.
What is the InChIKey of (2R)-2-acetamido-N-benzyl-3-hydroxypropanamide?
The InChIKey is XRKSCJLQKGLSKU-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-9(16)14-11(8-15)12(17)13-7-10-5-3-2-4-6-10/h2-6,11,15H,7-8H2,1H3,(H,13,17)(H,14,16)/t11-/m1/s1.
What are the key properties of (2R)-2-acetamido-N-benzyl-3-hydroxypropanamide?
(2R)-2-acetamido-N-benzyl-3-hydroxypropanamide has a molecular weight of 236.27 g/mol, XLogP of -0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-benzyl-3-hydroxypropanamide is sourced from PubChem (CID 10889901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).