5-[benzyl(methyl)amino]-4-methyl-5-oxopentanoic acid

C14H19NO3 — CID 112516106

IUPAC5-[benzyl(methyl)amino]-4-methyl-5-oxopentanoic acid
SMILESCC(CCC(=O)O)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C14H19NO3/c1-11(8-9-13(16)17)14(18)15(2)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,16,17)
InChIKeyAZENSOKMMWTNQZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.15
Rot. Bonds6

About 5-[benzyl(methyl)amino]-4-methyl-5-oxopentanoic acid

5-[benzyl(methyl)amino]-4-methyl-5-oxopentanoic acid (PubChem CID 112516106) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-[benzyl(methyl)amino]-4-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[benzyl(methyl)amino]-4-methyl-5-oxopentanoic acid
PubChem CID112516106
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name5-[benzyl(methyl)amino]-4-methyl-5-oxopentanoic acid
SMILESCC(CCC(=O)O)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C14H19NO3/c1-11(8-9-13(16)17)14(18)15(2)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,16,17)
InChIKeyAZENSOKMMWTNQZ-UHFFFAOYSA-N
XLogP2.15
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-methoxy-N-methylpropanamide
CID 112685507
N-benzyl-3-cyano-N,2-dimethylpropanamide
CID 82113791
3-[benzyl(methyl)amino]-2-methyl-3-oxopropanoic acid
CID 22443965
5-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 82687731
3-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]propanoic acid
CID 99849415
4-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]butanoic acid
CID 97323909
5-(N-ethylanilino)-4-methyl-5-oxopentanoic acid
CID 11492533
4-amino-5-[(3-hydroxyphenyl)methyl-methylamino]-5-oxopentanoic acid
CID 64890296
4-amino-5-[(3-fluorophenyl)methyl-methylamino]-5-oxopentanoic acid
CID 64895214
(4R)-5-amino-4-[[(2S)-2-(dibenzylamino)propanoyl]amino]-5-oxopentanoic acid
CID 139751384
(2S)-2-amino-N-benzyl-N,3,3-trimethylbutanamide
CID 61148158
acetic acid;N-benzyl-2-hydroxy-N-methyl-2-phenylacetamide
CID 67863072

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(methyl)amino]-4-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[benzyl(methyl)amino]-4-methyl-5-oxopentanoic acid (CID 112516106) is 5-[benzyl(methyl)amino]-4-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[benzyl(methyl)amino]-4-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[benzyl(methyl)amino]-4-methyl-5-oxopentanoic acid is CC(CCC(=O)O)C(=O)N(C)Cc1ccccc1.
What is the InChIKey of 5-[benzyl(methyl)amino]-4-methyl-5-oxopentanoic acid?
The InChIKey is AZENSOKMMWTNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11(8-9-13(16)17)14(18)15(2)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,16,17).
What are the key properties of 5-[benzyl(methyl)amino]-4-methyl-5-oxopentanoic acid?
5-[benzyl(methyl)amino]-4-methyl-5-oxopentanoic acid has a molecular weight of 249.31 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(methyl)amino]-4-methyl-5-oxopentanoic acid is sourced from PubChem (CID 112516106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).