(2R)-N-benzyl-2-(methoxymethyl)-4-oxopentanamide;(2R)-2-(hydroxymethyl)-4-oxopentanoic acid;(2R)-2-(methoxymethyl)-4-oxopentanoic acid

C27H41NO11 — CID 160800374

IUPAC(2R)-N-benzyl-2-(methoxymethyl)-4-oxopentanamide;(2R)-2-(hydroxymethyl)-4-oxopentanoic acid;(2R)-2-(methoxymethyl)-4-oxopentanoic acid
SMILESCC(=O)CC(CO)C(=O)O.COC[C@@H](CC(C)=O)C(=O)NCc1ccccc1.COC[C@@H](CC(C)=O)C(=O)O
InChIInChI=1S/C14H19NO3.C7H12O4.C6H10O4/c1-11(16)8-13(10-18-2)14(17)15-9-12-6-4-3-5-7-12;1-5(8)3-6(4-11-2)7(9)10;1-4(8)2-5(3-7)6(9)10/h3-7,13H,8-10H2,1-2H3,(H,15,17);6H,3-4H2,1-2H3,(H,9,10);5,7H,2-3H2,1H3,(H,9,10)/t13-;6-;/m11./s1
InChIKeySCZMYNIQCVCNNR-AOIIJDBGSA-N
MW555.62 g/mol
LogP1.52
Rot. Bonds16

About (2R)-N-benzyl-2-(methoxymethyl)-4-oxopentanamide;(2R)-2-(hydroxymethyl)-4-oxopentanoic acid;(2R)-2-(methoxymethyl)-4-oxopentanoic acid

(2R)-N-benzyl-2-(methoxymethyl)-4-oxopentanamide;(2R)-2-(hydroxymethyl)-4-oxopentanoic acid;(2R)-2-(methoxymethyl)-4-oxopentanoic acid (PubChem CID 160800374) has the molecular formula C27H41NO11 and a molecular weight of 555.62 g/mol. Its IUPAC name is (2R)-N-benzyl-2-(methoxymethyl)-4-oxopentanamide;(2R)-2-(hydroxymethyl)-4-oxopentanoic acid;(2R)-2-(methoxymethyl)-4-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-N-benzyl-2-(methoxymethyl)-4-oxopentanamide;(2R)-2-(hydroxymethyl)-4-oxopentanoic acid;(2R)-2-(methoxymethyl)-4-oxopentanoic acid
PubChem CID160800374
Molecular FormulaC27H41NO11
Molecular Weight555.62 g/mol
Exact Mass555.27
IUPAC Name(2R)-N-benzyl-2-(methoxymethyl)-4-oxopentanamide;(2R)-2-(hydroxymethyl)-4-oxopentanoic acid;(2R)-2-(methoxymethyl)-4-oxopentanoic acid
SMILESCC(=O)CC(CO)C(=O)O.COC[C@@H](CC(C)=O)C(=O)NCc1ccccc1.COC[C@@H](CC(C)=O)C(=O)O
InChIInChI=1S/C14H19NO3.C7H12O4.C6H10O4/c1-11(16)8-13(10-18-2)14(17)15-9-12-6-4-3-5-7-12;1-5(8)3-6(4-11-2)7(9)10;1-4(8)2-5(3-7)6(9)10/h3-7,13H,8-10H2,1-2H3,(H,15,17);6H,3-4H2,1-2H3,(H,9,10);5,7H,2-3H2,1H3,(H,9,10)/t13-;6-;/m11./s1
InChIKeySCZMYNIQCVCNNR-AOIIJDBGSA-N
XLogP1.52
TPSA193.60 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.62
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (2R)-N-benzyl-2-(methoxymethyl)-4-oxopentanamide;(2R)-2-(hydroxymethyl)-4-oxopentanoic acid;(2R)-2-(methoxymethyl)-4-oxopentanoic acid 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

(2R)-2-amino-N-benzyl-3-hydroxypropanamide;(2R)-2-amino-3-hydroxypropanoic acid;(2R)-N-benzyl-2-(hydroxymethyl)-4-oxopentanamide;(2R)-N-benzyl-2-(methoxymethyl)-4-oxopentanamide;methyl (2R)-2-amino-3-hydroxypropanoate;molecular iodine
CID 159843741
N-benzyl-2-(chloromethyl)-3-methoxypropanamide
CID 143985847
N-[dideuterio(phenyl)methyl]-4-oxo-2-(trideuteriomethoxymethyl)pentanamide
CID 161219448
(2R)-N-benzyl-3-methoxy-2-methylpropanamide
CID 12051861
(2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(methoxymethyl)-4-oxopentanamide
CID 58115535
(2S)-N-benzyl-2-[(2-iodoacetyl)amino]-3-methoxypropanamide
CID 172598061
2-amino-N-benzyl-5-methoxypentanamide
CID 81081027
2-methylpropyl (2R)-3-(benzylamino)-2-(methoxymethyl)-3-oxopropanoate
CID 141445219
2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]carbamate
CID 56960724
2-[acetyl(methyl)amino]-N-benzylpropanamide
CID 10037012
methyl 4-oxo-2-(2-phenylethyl)pentanoate
CID 100937736
N-[dideuterio-(3-methylphenyl)methyl]-4-oxo-2-(trideuteriomethoxymethyl)pentanamide
CID 58463456

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-(methoxymethyl)-4-oxopentanamide;(2R)-2-(hydroxymethyl)-4-oxopentanoic acid;(2R)-2-(methoxymethyl)-4-oxopentanoic acid?
The IUPAC name of (2R)-N-benzyl-2-(methoxymethyl)-4-oxopentanamide;(2R)-2-(hydroxymethyl)-4-oxopentanoic acid;(2R)-2-(methoxymethyl)-4-oxopentanoic acid (CID 160800374) is (2R)-N-benzyl-2-(methoxymethyl)-4-oxopentanamide;(2R)-2-(hydroxymethyl)-4-oxopentanoic acid;(2R)-2-(methoxymethyl)-4-oxopentanoic acid.
What is the SMILES notation for (2R)-N-benzyl-2-(methoxymethyl)-4-oxopentanamide;(2R)-2-(hydroxymethyl)-4-oxopentanoic acid;(2R)-2-(methoxymethyl)-4-oxopentanoic acid?
The canonical SMILES for (2R)-N-benzyl-2-(methoxymethyl)-4-oxopentanamide;(2R)-2-(hydroxymethyl)-4-oxopentanoic acid;(2R)-2-(methoxymethyl)-4-oxopentanoic acid is CC(=O)CC(CO)C(=O)O.COC[C@@H](CC(C)=O)C(=O)NCc1ccccc1.COC[C@@H](CC(C)=O)C(=O)O.
What is the InChIKey of (2R)-N-benzyl-2-(methoxymethyl)-4-oxopentanamide;(2R)-2-(hydroxymethyl)-4-oxopentanoic acid;(2R)-2-(methoxymethyl)-4-oxopentanoic acid?
The InChIKey is SCZMYNIQCVCNNR-AOIIJDBGSA-N. The full InChI is InChI=1S/C14H19NO3.C7H12O4.C6H10O4/c1-11(16)8-13(10-18-2)14(17)15-9-12-6-4-3-5-7-12;1-5(8)3-6(4-11-2)7(9)10;1-4(8)2-5(3-7)6(9)10/h3-7,13H,8-10H2,1-2H3,(H,15,17);6H,3-4H2,1-2H3,(H,9,10);5,7H,2-3H2,1H3,(H,9,10)/t13-;6-;/m11./s1.
What are the key properties of (2R)-N-benzyl-2-(methoxymethyl)-4-oxopentanamide;(2R)-2-(hydroxymethyl)-4-oxopentanoic acid;(2R)-2-(methoxymethyl)-4-oxopentanoic acid?
(2R)-N-benzyl-2-(methoxymethyl)-4-oxopentanamide;(2R)-2-(hydroxymethyl)-4-oxopentanoic acid;(2R)-2-(methoxymethyl)-4-oxopentanoic acid has a molecular weight of 555.62 g/mol, XLogP of 1.52, 16 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-(methoxymethyl)-4-oxopentanamide;(2R)-2-(hydroxymethyl)-4-oxopentanoic acid;(2R)-2-(methoxymethyl)-4-oxopentanoic acid is sourced from PubChem (CID 160800374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).