2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-phenylpropanoic acid

C15H21NO4 — CID 115949251

IUPAC2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-phenylpropanoic acid
SMILESCC(C)(C)OCC(=O)NC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H21NO4/c1-14(2,3)20-10-12(17)16-15(4,13(18)19)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyYGOMONZWZUHBTL-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.92
Rot. Bonds5

About 2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-phenylpropanoic acid

2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-phenylpropanoic acid (PubChem CID 115949251) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-phenylpropanoic acid
PubChem CID115949251
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-phenylpropanoic acid
SMILESCC(C)(C)OCC(=O)NC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H21NO4/c1-14(2,3)20-10-12(17)16-15(4,13(18)19)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyYGOMONZWZUHBTL-UHFFFAOYSA-N
XLogP1.92
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(methylamino)acetyl]amino]-2-phenylpropanoic acid
CID 55078720
2-[(2-pentoxyacetyl)amino]-2-phenylpropanoic acid
CID 66656181
2-phenyl-2-(3,3,3-trifluoropropanoylamino)propanoic acid
CID 55078201
(2R)-2-acetamido-2-phenylpropanoic acid
CID 91535796
2-(hexanoylamino)-2-phenylpropanoic acid
CID 62487129
2-phenyl-2-(3-propoxypropanoylamino)propanoic acid
CID 62717159
2-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)acetamide
CID 112604896
(2S)-2-(carbamoylamino)-2-phenylpropanoic acid
CID 94456492
2-(pent-4-enoylamino)-2-phenylpropanoic acid
CID 62679681
2-[(2-cyclopentylacetyl)amino]-2-phenylpropanoic acid
CID 62487480
(2S)-2-benzamido-2-phenylpropanoic acid
CID 10967539
2-(phenoxycarbonylamino)-2-phenylpropanoic acid
CID 62489572

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-phenylpropanoic acid?
The IUPAC name of 2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-phenylpropanoic acid (CID 115949251) is 2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-phenylpropanoic acid.
What is the SMILES notation for 2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-phenylpropanoic acid?
The canonical SMILES for 2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-phenylpropanoic acid is CC(C)(C)OCC(=O)NC(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-phenylpropanoic acid?
The InChIKey is YGOMONZWZUHBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-14(2,3)20-10-12(17)16-15(4,13(18)19)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-phenylpropanoic acid?
2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-phenylpropanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-phenylpropanoic acid is sourced from PubChem (CID 115949251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).