2-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-phenylpropanoic acid

C15H22N2O3 — CID 62836653

IUPAC2-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-phenylpropanoic acid
SMILESCCNC(C)(C)C(=O)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-4-16-15(2,3)14(20)17-12(13(18)19)10-11-8-6-5-7-9-11/h5-9,12,16H,4,10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyCZHSCNJGCGCXIR-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.19
Rot. Bonds7

About 2-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-phenylpropanoic acid

2-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-phenylpropanoic acid (PubChem CID 62836653) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-phenylpropanoic acid
PubChem CID62836653
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-phenylpropanoic acid
SMILESCCNC(C)(C)C(=O)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-4-16-15(2,3)14(20)17-12(13(18)19)10-11-8-6-5-7-9-11/h5-9,12,16H,4,10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyCZHSCNJGCGCXIR-UHFFFAOYSA-N
XLogP1.19
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-dimethylbutanoylamino)-3-phenylpropanoic acid
CID 55102814
2-[(2-amino-2-methylpropanoyl)amino]-3-phenylpropanoic acid
CID 61265643
(2R)-2-[(2-amino-2-ethylbutanoyl)amino]-3-phenylpropanoic acid
CID 103868984
2-[[2-(ethylamino)-2-methylpropanoyl]amino]butanoic acid
CID 62835349
2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-3-phenylpropanoic acid
CID 115432257
2-[(2,2-difluoro-3-methoxypropanoyl)amino]-3-phenylpropanoic acid
CID 167835410
2-(3-methylpentan-3-ylcarbamoylamino)-3-phenylpropanoic acid
CID 106330586
(2R)-3-(4-hydroxyphenyl)-2-[[2-methyl-2-(methylamino)propanoyl]amino]propanoic acid
CID 104905669
2,2-dimethyl-N-[(2R)-3-oxo-1-phenylpentan-2-yl]propanamide
CID 67704235
2-[[2-methyl-2-(2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]-3-phenylpropanoic acid
CID 82031626
2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-3-phenylpropanoic acid
CID 72975437
(2S)-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-3-phenylpropanoic acid
CID 11473902

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-phenylpropanoic acid?
The IUPAC name of 2-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-phenylpropanoic acid (CID 62836653) is 2-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-phenylpropanoic acid is CCNC(C)(C)C(=O)NC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-phenylpropanoic acid?
The InChIKey is CZHSCNJGCGCXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-16-15(2,3)14(20)17-12(13(18)19)10-11-8-6-5-7-9-11/h5-9,12,16H,4,10H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 2-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-phenylpropanoic acid?
2-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-phenylpropanoic acid has a molecular weight of 278.35 g/mol, XLogP of 1.19, 7 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]-3-phenylpropanoic acid is sourced from PubChem (CID 62836653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).