2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylpropanoic acid

C15H22N2O3 — CID 62834631

IUPAC2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylpropanoic acid
SMILESCCNC(C)(C)C(=O)NC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-5-16-14(2,3)12(18)17-15(4,13(19)20)11-9-7-6-8-10-11/h6-10,16H,5H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyDALLJHHUHWFQQU-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.49
Rot. Bonds6

About 2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylpropanoic acid

2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylpropanoic acid (PubChem CID 62834631) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylpropanoic acid
PubChem CID62834631
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylpropanoic acid
SMILESCCNC(C)(C)C(=O)NC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-5-16-14(2,3)12(18)17-15(4,13(19)20)11-9-7-6-8-10-11/h6-10,16H,5H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyDALLJHHUHWFQQU-UHFFFAOYSA-N
XLogP1.49
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-acetamido-2-phenylpropanoic acid
CID 91535796
(2S)-2-(carbamoylamino)-2-phenylpropanoic acid
CID 94456492
3-(ethylamino)-3-methyl-1-phenylbutan-2-one
CID 116565964
(2S)-2-benzamido-2-phenylpropanoic acid
CID 10967539
2-[[2-(methylamino)acetyl]amino]-2-phenylpropanoic acid
CID 55078720
2-(hexanoylamino)-2-phenylpropanoic acid
CID 62487129
2-phenyl-2-(2-propylpentanoylamino)propanoic acid
CID 82984964
2-phenyl-2-(3,3,3-trifluoropropanoylamino)propanoic acid
CID 55078201
2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-phenylpropanoic acid
CID 115949251
2-(2,2-dimethylbutylcarbamoylamino)-2-phenylpropanoic acid
CID 103463206
2-[[butan-2-yl(methyl)carbamoyl]amino]-2-phenylpropanoic acid
CID 62489409
3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65265679

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylpropanoic acid?
The IUPAC name of 2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylpropanoic acid (CID 62834631) is 2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylpropanoic acid.
What is the SMILES notation for 2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylpropanoic acid?
The canonical SMILES for 2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylpropanoic acid is CCNC(C)(C)C(=O)NC(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylpropanoic acid?
The InChIKey is DALLJHHUHWFQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-5-16-14(2,3)12(18)17-15(4,13(19)20)11-9-7-6-8-10-11/h6-10,16H,5H2,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylpropanoic acid?
2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylpropanoic acid has a molecular weight of 278.35 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylpropanoic acid is sourced from PubChem (CID 62834631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).