6-[methyl(2-phenylethyl)amino]-6-oxohexanoic acid

C15H21NO3 — CID 23043994

IUPAC6-[methyl(2-phenylethyl)amino]-6-oxohexanoic acid
SMILESCN(CCc1ccccc1)C(=O)CCCCC(=O)O
InChIInChI=1S/C15H21NO3/c1-16(12-11-13-7-3-2-4-8-13)14(17)9-5-6-10-15(18)19/h2-4,7-8H,5-6,9-12H2,1H3,(H,18,19)
InChIKeyVKFJKOKTVRWPDQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.33
Rot. Bonds8

About 6-[methyl(2-phenylethyl)amino]-6-oxohexanoic acid

6-[methyl(2-phenylethyl)amino]-6-oxohexanoic acid (PubChem CID 23043994) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-[methyl(2-phenylethyl)amino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[methyl(2-phenylethyl)amino]-6-oxohexanoic acid
PubChem CID23043994
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name6-[methyl(2-phenylethyl)amino]-6-oxohexanoic acid
SMILESCN(CCc1ccccc1)C(=O)CCCCC(=O)O
InChIInChI=1S/C15H21NO3/c1-16(12-11-13-7-3-2-4-8-13)14(17)9-5-6-10-15(18)19/h2-4,7-8H,5-6,9-12H2,1H3,(H,18,19)
InChIKeyVKFJKOKTVRWPDQ-UHFFFAOYSA-N
XLogP2.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-(3-bromophenyl)ethyl-methylamino]-5-oxopentanoic acid
CID 115163898
N-(2-chloroethyl)-N-methyl-4-phenylbutanamide
CID 63391707
5-[ethyl(2-phenylethyl)amino]-5-oxopentanoic acid
CID 54875421
5-[2-(2-fluorophenyl)ethyl-methylamino]-5-oxopentanoic acid
CID 94695505
N-(3-hydroxybutyl)-N-methyl-4-phenylbutanamide
CID 111695751
6-[methyl(2-phenylethyl)amino]-6-oxo-5-phenylhexanoic acid
CID 69405899
4-[methyl(2-phenylethyl)amino]-2,4-dioxobutanoic acid
CID 142214555
15-phenylpentadecanoic acid
CID 2737151
5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid
CID 79476519
5-[benzyl(methyl)amino]pentanoic acid
CID 28972352
4-[3-(4-aminophenyl)propanoyl-methylamino]butanoic acid
CID 115341281
3-[4-(4-chlorophenyl)butanoyl-methylamino]propanoic acid
CID 82224338

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(2-phenylethyl)amino]-6-oxohexanoic acid?
The IUPAC name of 6-[methyl(2-phenylethyl)amino]-6-oxohexanoic acid (CID 23043994) is 6-[methyl(2-phenylethyl)amino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[methyl(2-phenylethyl)amino]-6-oxohexanoic acid?
The canonical SMILES for 6-[methyl(2-phenylethyl)amino]-6-oxohexanoic acid is CN(CCc1ccccc1)C(=O)CCCCC(=O)O.
What is the InChIKey of 6-[methyl(2-phenylethyl)amino]-6-oxohexanoic acid?
The InChIKey is VKFJKOKTVRWPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-16(12-11-13-7-3-2-4-8-13)14(17)9-5-6-10-15(18)19/h2-4,7-8H,5-6,9-12H2,1H3,(H,18,19).
What are the key properties of 6-[methyl(2-phenylethyl)amino]-6-oxohexanoic acid?
6-[methyl(2-phenylethyl)amino]-6-oxohexanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(2-phenylethyl)amino]-6-oxohexanoic acid is sourced from PubChem (CID 23043994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).