5-[[benzyl(methyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid

C15H20N2O4 — CID 62942041

IUPAC5-[[benzyl(methyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C15H20N2O4/c1-11(9-14(19)20)8-13(18)16-15(21)17(2)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,19,20)(H,16,18,21)
InChIKeyQAIMFONGGKFEJV-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.86
Rot. Bonds6

About 5-[[benzyl(methyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid

5-[[benzyl(methyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid (PubChem CID 62942041) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 5-[[benzyl(methyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[benzyl(methyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
PubChem CID62942041
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name5-[[benzyl(methyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C15H20N2O4/c1-11(9-14(19)20)8-13(18)16-15(21)17(2)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,19,20)(H,16,18,21)
InChIKeyQAIMFONGGKFEJV-UHFFFAOYSA-N
XLogP1.86
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-5-oxo-5-[2-(2-phenylacetyl)hydrazinyl]pentanoic acid
CID 45126635
5-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 82687731
3-amino-1-benzyl-1-methylurea
CID 43163959
(2R)-2-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976178
5-[(3-bromophenyl)methyl-methylamino]-3-methyl-5-oxopentanoic acid
CID 55155222
3-methyl-4-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]butanoic acid
CID 81069552
2-[[benzyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 61183896
5-(N-benzylanilino)-3-methyl-5-oxopentanoic acid
CID 11709377
4-[[benzyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid
CID 81066544
2-[[benzyl(methyl)carbamoyl]amino]-2-methylpropanoic acid
CID 61265938
5-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 62966393
5-[[2-[(dimethylamino)methyl]phenyl]methylamino]-3-methyl-5-oxopentanoic acid
CID 62964535

Frequently Asked Questions

What is the IUPAC name of 5-[[benzyl(methyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[[benzyl(methyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid (CID 62942041) is 5-[[benzyl(methyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[[benzyl(methyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[[benzyl(methyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)NC(=O)N(C)Cc1ccccc1.
What is the InChIKey of 5-[[benzyl(methyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid?
The InChIKey is QAIMFONGGKFEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-11(9-14(19)20)8-13(18)16-15(21)17(2)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,19,20)(H,16,18,21).
What are the key properties of 5-[[benzyl(methyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid?
5-[[benzyl(methyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid has a molecular weight of 292.33 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[benzyl(methyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62942041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).