2-[(2-pentoxyacetyl)amino]-2-phenylpropanoic acid

C16H23NO4 — CID 66656181

IUPAC2-[(2-pentoxyacetyl)amino]-2-phenylpropanoic acid
SMILESCCCCCOCC(=O)NC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H23NO4/c1-3-4-8-11-21-12-14(18)17-16(2,15(19)20)13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyMBCVSOWBFYUVFM-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.31
Rot. Bonds9

About 2-[(2-pentoxyacetyl)amino]-2-phenylpropanoic acid

2-[(2-pentoxyacetyl)amino]-2-phenylpropanoic acid (PubChem CID 66656181) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[(2-pentoxyacetyl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-[(2-pentoxyacetyl)amino]-2-phenylpropanoic acid
PubChem CID66656181
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-[(2-pentoxyacetyl)amino]-2-phenylpropanoic acid
SMILESCCCCCOCC(=O)NC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H23NO4/c1-3-4-8-11-21-12-14(18)17-16(2,15(19)20)13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyMBCVSOWBFYUVFM-UHFFFAOYSA-N
XLogP2.31
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(hexanoylamino)-2-phenylpropanoic acid
CID 62487129
2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-phenylpropanoic acid
CID 115949251
2-phenyl-2-(3-propoxypropanoylamino)propanoic acid
CID 62717159
2-[(2-butoxyacetyl)amino]-2-methylpropanoic acid
CID 119187574
2-[[2-(methylamino)acetyl]amino]-2-phenylpropanoic acid
CID 55078720
1-hexadecoxy-3-trityloxypropan-2-one
CID 21299162
(2S)-2-[(2-pentoxyacetyl)amino]-3-phenylpropanoic acid
CID 119366667
2-phenyl-2-(3,3,3-trifluoropropanoylamino)propanoic acid
CID 55078201
2-methyl-2-[[2-(2-phenylethoxy)acetyl]amino]propanoic acid
CID 119187691
2-(2-ethoxyethylcarbamoylamino)-2-phenylpropanoic acid
CID 43457126
benzoic acid;1-pentoxypentane
CID 70815519
2-[(2-cyclopentylacetyl)amino]-2-phenylpropanoic acid
CID 62487480

Frequently Asked Questions

What is the IUPAC name of 2-[(2-pentoxyacetyl)amino]-2-phenylpropanoic acid?
The IUPAC name of 2-[(2-pentoxyacetyl)amino]-2-phenylpropanoic acid (CID 66656181) is 2-[(2-pentoxyacetyl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 2-[(2-pentoxyacetyl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 2-[(2-pentoxyacetyl)amino]-2-phenylpropanoic acid is CCCCCOCC(=O)NC(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(2-pentoxyacetyl)amino]-2-phenylpropanoic acid?
The InChIKey is MBCVSOWBFYUVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-3-4-8-11-21-12-14(18)17-16(2,15(19)20)13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(2-pentoxyacetyl)amino]-2-phenylpropanoic acid?
2-[(2-pentoxyacetyl)amino]-2-phenylpropanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.31, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-pentoxyacetyl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 66656181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).