5-[(4-methoxycarbonylphenyl)methylamino]-3-methyl-5-oxopentanoic acid

C15H19NO5 — CID 62964014

IUPAC5-[(4-methoxycarbonylphenyl)methylamino]-3-methyl-5-oxopentanoic acid
SMILESCOC(=O)c1ccc(CNC(=O)CC(C)CC(=O)O)cc1
InChIInChI=1S/C15H19NO5/c1-10(8-14(18)19)7-13(17)16-9-11-3-5-12(6-4-11)15(20)21-2/h3-6,10H,7-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyMMIFMESTYDGASM-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.59
Rot. Bonds7

About 5-[(4-methoxycarbonylphenyl)methylamino]-3-methyl-5-oxopentanoic acid

5-[(4-methoxycarbonylphenyl)methylamino]-3-methyl-5-oxopentanoic acid (PubChem CID 62964014) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 5-[(4-methoxycarbonylphenyl)methylamino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(4-methoxycarbonylphenyl)methylamino]-3-methyl-5-oxopentanoic acid
PubChem CID62964014
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name5-[(4-methoxycarbonylphenyl)methylamino]-3-methyl-5-oxopentanoic acid
SMILESCOC(=O)c1ccc(CNC(=O)CC(C)CC(=O)O)cc1
InChIInChI=1S/C15H19NO5/c1-10(8-14(18)19)7-13(17)16-9-11-3-5-12(6-4-11)15(20)21-2/h3-6,10H,7-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyMMIFMESTYDGASM-UHFFFAOYSA-N
XLogP1.59
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-[[4-(methylcarbamoyl)phenyl]methylamino]-5-oxopentanoic acid
CID 62964546
3-amino-4-[(4-methoxycarbonylphenyl)methylamino]-4-oxobutanoic acid
CID 64896534
methyl 4-[[[2-(propan-2-ylamino)acetyl]amino]methyl]benzoate
CID 60641043
methyl 4-[(1-phenylethylcarbamoylamino)methyl]benzoate
CID 127567013
methyl 4-[[[(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoyl]amino]methyl]benzoate
CID 51968939
methyl 4-[[[(2S)-2-acetamido-3-methylbutanoyl]amino]methyl]benzoate
CID 9112842
5-(2-chloro-5-methoxycarbonylanilino)-3-methyl-5-oxopentanoic acid
CID 62965555
4-[(3,4-dimethylpentanoylamino)methyl]benzoic acid
CID 119165475
methyl 4-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate
CID 18189793
methyl 4-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]benzoate
CID 61274721
1-O-methyl 4-O-[2-[(4-methylphenyl)methylamino]-2-oxoethyl] benzene-1,4-dicarboxylate
CID 7296519
3-methyl-5-(naphthalen-1-ylmethylamino)-5-oxopentanoic acid
CID 62965446

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxycarbonylphenyl)methylamino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[(4-methoxycarbonylphenyl)methylamino]-3-methyl-5-oxopentanoic acid (CID 62964014) is 5-[(4-methoxycarbonylphenyl)methylamino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[(4-methoxycarbonylphenyl)methylamino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[(4-methoxycarbonylphenyl)methylamino]-3-methyl-5-oxopentanoic acid is COC(=O)c1ccc(CNC(=O)CC(C)CC(=O)O)cc1.
What is the InChIKey of 5-[(4-methoxycarbonylphenyl)methylamino]-3-methyl-5-oxopentanoic acid?
The InChIKey is MMIFMESTYDGASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-10(8-14(18)19)7-13(17)16-9-11-3-5-12(6-4-11)15(20)21-2/h3-6,10H,7-9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 5-[(4-methoxycarbonylphenyl)methylamino]-3-methyl-5-oxopentanoic acid?
5-[(4-methoxycarbonylphenyl)methylamino]-3-methyl-5-oxopentanoic acid has a molecular weight of 293.32 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxycarbonylphenyl)methylamino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62964014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).