2-[(6-oxo-6-phenylmethoxyhexanoyl)amino]acetic acid

C15H19NO5 — CID 121350347

IUPAC2-[(6-oxo-6-phenylmethoxyhexanoyl)amino]acetic acid
SMILESO=C(O)CNC(=O)CCCCC(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO5/c17-13(16-10-14(18)19)8-4-5-9-15(20)21-11-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,16,17)(H,18,19)
InChIKeyXTXXSEGVSIPJFL-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.49
Rot. Bonds9

About 2-[(6-oxo-6-phenylmethoxyhexanoyl)amino]acetic acid

2-[(6-oxo-6-phenylmethoxyhexanoyl)amino]acetic acid (PubChem CID 121350347) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[(6-oxo-6-phenylmethoxyhexanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-oxo-6-phenylmethoxyhexanoyl)amino]acetic acid
PubChem CID121350347
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-[(6-oxo-6-phenylmethoxyhexanoyl)amino]acetic acid
SMILESO=C(O)CNC(=O)CCCCC(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO5/c17-13(16-10-14(18)19)8-4-5-9-15(20)21-11-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,16,17)(H,18,19)
InChIKeyXTXXSEGVSIPJFL-UHFFFAOYSA-N
XLogP1.49
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-oxo-4-[(2-oxo-2-phenylmethoxyethyl)amino]butanoyl]amino]acetic acid
CID 139916418
2-[(3-oxo-3-phenylmethoxypropanoyl)amino]acetic acid
CID 69081504
26-oxo-26-phenylmethoxyhexacosanoic acid
CID 155487553
benzyl 2-(oct-7-enoylamino)acetate
CID 71697886
2-[[5-[(4-nitrophenyl)methoxy]-5-oxopentanoyl]amino]acetic acid
CID 56927947
benzyl 5-hydroxypentanoate
CID 19788674
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
benzyl 4-phenylbutanoate
CID 11961623
[(2S)-3-oxo-3-phenylmethoxy-2-[[2-(tetradecanoylamino)acetyl]amino]propyl] hexadecanoate
CID 10101246
benzyl 16-chloro-16-oxohexadecanoate
CID 131724893
benzyl 5-aminooxypentanoate
CID 71521535
benzyl 6-aminohexanoate;hydrochloride
CID 67401791

Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-6-phenylmethoxyhexanoyl)amino]acetic acid?
The IUPAC name of 2-[(6-oxo-6-phenylmethoxyhexanoyl)amino]acetic acid (CID 121350347) is 2-[(6-oxo-6-phenylmethoxyhexanoyl)amino]acetic acid.
What is the SMILES notation for 2-[(6-oxo-6-phenylmethoxyhexanoyl)amino]acetic acid?
The canonical SMILES for 2-[(6-oxo-6-phenylmethoxyhexanoyl)amino]acetic acid is O=C(O)CNC(=O)CCCCC(=O)OCc1ccccc1.
What is the InChIKey of 2-[(6-oxo-6-phenylmethoxyhexanoyl)amino]acetic acid?
The InChIKey is XTXXSEGVSIPJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c17-13(16-10-14(18)19)8-4-5-9-15(20)21-11-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,16,17)(H,18,19).
What are the key properties of 2-[(6-oxo-6-phenylmethoxyhexanoyl)amino]acetic acid?
2-[(6-oxo-6-phenylmethoxyhexanoyl)amino]acetic acid has a molecular weight of 293.32 g/mol, XLogP of 1.49, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-6-phenylmethoxyhexanoyl)amino]acetic acid is sourced from PubChem (CID 121350347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).