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

C12H16N2O3 — CID 171785861

IUPAC(3R)-3-acetamido-N-benzyl-3-hydroxypropanamide
SMILESCC(=O)N[C@H](O)CC(=O)NCc1ccccc1
InChIInChI=1S/C12H16N2O3/c1-9(15)14-12(17)7-11(16)13-8-10-5-3-2-4-6-10/h2-6,12,17H,7-8H2,1H3,(H,13,16)(H,14,15)/t12-/m1/s1
InChIKeyAVCICAAPXUDTOF-GFCCVEGCSA-N
MW236.27 g/mol
LogP0.15
Rot. Bonds5

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

(3R)-3-acetamido-N-benzyl-3-hydroxypropanamide (PubChem CID 171785861) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (3R)-3-acetamido-N-benzyl-3-hydroxypropanamide.

Molecular Properties

Compound Name(3R)-3-acetamido-N-benzyl-3-hydroxypropanamide
PubChem CID171785861
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(3R)-3-acetamido-N-benzyl-3-hydroxypropanamide
SMILESCC(=O)N[C@H](O)CC(=O)NCc1ccccc1
InChIInChI=1S/C12H16N2O3/c1-9(15)14-12(17)7-11(16)13-8-10-5-3-2-4-6-10/h2-6,12,17H,7-8H2,1H3,(H,13,16)(H,14,15)/t12-/m1/s1
InChIKeyAVCICAAPXUDTOF-GFCCVEGCSA-N
XLogP0.15
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 ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-benzyl-3-hydroxypentanamide
CID 130658384
N-benzyl-3-hydroxy-3-phenylpropanamide
CID 15473661
N-benzyl-3,4-dihydroxybutanamide
CID 69242116
3-[[2-(benzylamino)-2-oxoethyl]amino]butanoic acid
CID 54881576
(3S)-3-acetamido-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 40939423
5-(benzylamino)-5-oxo-3-phenylpentanoic acid
CID 70196436
2-acetamido-N-benzyl-2-(hydroxyamino)acetamide
CID 14860703
(2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide
CID 167024593
(3S)-3-acetamido-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide
CID 9303942
3,4-diamino-N-benzylbutanamide
CID 57016843
N,N'-dibenzyl-2-bromobutanediamide
CID 12947254
2-[acetyl(propan-2-yl)amino]-N-benzylacetamide
CID 113158122

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-N-benzyl-3-hydroxypropanamide?
The IUPAC name of (3R)-3-acetamido-N-benzyl-3-hydroxypropanamide (CID 171785861) is (3R)-3-acetamido-N-benzyl-3-hydroxypropanamide.
What is the SMILES notation for (3R)-3-acetamido-N-benzyl-3-hydroxypropanamide?
The canonical SMILES for (3R)-3-acetamido-N-benzyl-3-hydroxypropanamide is CC(=O)N[C@H](O)CC(=O)NCc1ccccc1.
What is the InChIKey of (3R)-3-acetamido-N-benzyl-3-hydroxypropanamide?
The InChIKey is AVCICAAPXUDTOF-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-9(15)14-12(17)7-11(16)13-8-10-5-3-2-4-6-10/h2-6,12,17H,7-8H2,1H3,(H,13,16)(H,14,15)/t12-/m1/s1.
What are the key properties of (3R)-3-acetamido-N-benzyl-3-hydroxypropanamide?
(3R)-3-acetamido-N-benzyl-3-hydroxypropanamide has a molecular weight of 236.27 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetamido-N-benzyl-3-hydroxypropanamide is sourced from PubChem (CID 171785861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).