[(2R)-5-(benzylamino)-2-(hydroxymethyl)-5-oxopentyl] acetate

C15H21NO4 — CID 132547742

IUPAC[(2R)-5-(benzylamino)-2-(hydroxymethyl)-5-oxopentyl] acetate
SMILESCC(=O)OC[C@@H](CO)CCC(=O)NCc1ccccc1
InChIInChI=1S/C15H21NO4/c1-12(18)20-11-14(10-17)7-8-15(19)16-9-13-5-3-2-4-6-13/h2-6,14,17H,7-11H2,1H3,(H,16,19)/t14-/m1/s1
InChIKeyNRVLHFMMSPCZOA-CQSZACIVSA-N
MW279.34 g/mol
LogP1.25
Rot. Bonds8

About [(2R)-5-(benzylamino)-2-(hydroxymethyl)-5-oxopentyl] acetate

[(2R)-5-(benzylamino)-2-(hydroxymethyl)-5-oxopentyl] acetate (PubChem CID 132547742) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is [(2R)-5-(benzylamino)-2-(hydroxymethyl)-5-oxopentyl] acetate.

Molecular Properties

Compound Name[(2R)-5-(benzylamino)-2-(hydroxymethyl)-5-oxopentyl] acetate
PubChem CID132547742
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name[(2R)-5-(benzylamino)-2-(hydroxymethyl)-5-oxopentyl] acetate
SMILESCC(=O)OC[C@@H](CO)CCC(=O)NCc1ccccc1
InChIInChI=1S/C15H21NO4/c1-12(18)20-11-14(10-17)7-8-15(19)16-9-13-5-3-2-4-6-13/h2-6,14,17H,7-11H2,1H3,(H,16,19)/t14-/m1/s1
InChIKeyNRVLHFMMSPCZOA-CQSZACIVSA-N
XLogP1.25
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(2R)-5-(benzylamino)-2-(hydroxymethyl)-5-oxopentyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(benzylamino)-2-methyl-5-oxopentanoic acid
CID 112515547
N-benzyl-4-fluoro-7-oxooctanamide
CID 154713599
N-benzyl-4,4-difluorobutanamide
CID 132965820
N-benzyl-3-[[N-ethyl-N'-[2-(2-hydroxyethyl)-4-methylpentyl]carbamimidoyl]amino]propanamide
CID 111715438
1-benzyl-3-(2-methylpropoxy)urea
CID 103829351
N'-benzylbutanediamide
CID 4682951
[5-hydroxy-2-(2-phenylethyl)pentyl] acetate
CID 139794591
N-benzyl-4-(methylamino)heptanamide
CID 142110243
(2-amino-2-ethoxyethyl) acetate;benzylcarbamic acid
CID 159317462
2-[acetyl(propan-2-yl)amino]-N-benzylacetamide
CID 113158122
2-ethylpentyl N-benzylcarbamate
CID 58269941
N-benzyl-4-bromooctanamide
CID 174470522

Frequently Asked Questions

What is the IUPAC name of [(2R)-5-(benzylamino)-2-(hydroxymethyl)-5-oxopentyl] acetate?
The IUPAC name of [(2R)-5-(benzylamino)-2-(hydroxymethyl)-5-oxopentyl] acetate (CID 132547742) is [(2R)-5-(benzylamino)-2-(hydroxymethyl)-5-oxopentyl] acetate.
What is the SMILES notation for [(2R)-5-(benzylamino)-2-(hydroxymethyl)-5-oxopentyl] acetate?
The canonical SMILES for [(2R)-5-(benzylamino)-2-(hydroxymethyl)-5-oxopentyl] acetate is CC(=O)OC[C@@H](CO)CCC(=O)NCc1ccccc1.
What is the InChIKey of [(2R)-5-(benzylamino)-2-(hydroxymethyl)-5-oxopentyl] acetate?
The InChIKey is NRVLHFMMSPCZOA-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21NO4/c1-12(18)20-11-14(10-17)7-8-15(19)16-9-13-5-3-2-4-6-13/h2-6,14,17H,7-11H2,1H3,(H,16,19)/t14-/m1/s1.
What are the key properties of [(2R)-5-(benzylamino)-2-(hydroxymethyl)-5-oxopentyl] acetate?
[(2R)-5-(benzylamino)-2-(hydroxymethyl)-5-oxopentyl] acetate has a molecular weight of 279.34 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-(benzylamino)-2-(hydroxymethyl)-5-oxopentyl] acetate is sourced from PubChem (CID 132547742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).