(2R)-2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylacetic acid

C14H20N2O3 — CID 62836836

IUPAC(2R)-2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylacetic acid
SMILESCCNC(C)(C)C(=O)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-4-15-14(2,3)13(19)16-11(12(17)18)10-8-6-5-7-9-10/h5-9,11,15H,4H2,1-3H3,(H,16,19)(H,17,18)/t11-/m1/s1
InChIKeyXFYRUCPUKKKBAO-LLVKDONJSA-N
MW264.32 g/mol
LogP1.32
Rot. Bonds6

About (2R)-2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylacetic acid

(2R)-2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylacetic acid (PubChem CID 62836836) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2R)-2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylacetic acid
PubChem CID62836836
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(2R)-2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylacetic acid
SMILESCCNC(C)(C)C(=O)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-4-15-14(2,3)13(19)16-11(12(17)18)10-8-6-5-7-9-10/h5-9,11,15H,4H2,1-3H3,(H,16,19)(H,17,18)/t11-/m1/s1
InChIKeyXFYRUCPUKKKBAO-LLVKDONJSA-N
XLogP1.32
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-methyl-2-(methylamino)propanoyl]amino]-2-phenylacetic acid
CID 62845633
2-[(2-amino-2-methylpentanoyl)amino]-2-phenylacetic acid
CID 61158432
2-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-phenylpropanoic acid
CID 62836653
2-(ethylamino)-2-methyl-N-(2-phenylpropyl)propanamide
CID 62834242
2-[[2-(tert-butylamino)acetyl]amino]-2-phenylacetic acid
CID 79256949
2-(2-methylbutan-2-ylcarbamoylamino)-2-phenylacetic acid
CID 61187307
2-[[2-(ethylamino)-2-methylpropanoyl]amino]butanoic acid
CID 62835349
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605
2-(ethylamino)-N-[1-(3-hydroxyphenyl)ethyl]-2-methylpropanamide
CID 55121666
(2R)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-2-phenylacetic acid
CID 61161130
2-[(2-methoxyacetyl)amino]-2-phenylacetic acid
CID 16776085
(2S)-2-(3,3-dimethylbutylcarbamoylamino)-2-phenylacetic acid
CID 103995825

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylacetic acid (CID 62836836) is (2R)-2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylacetic acid is CCNC(C)(C)C(=O)N[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylacetic acid?
The InChIKey is XFYRUCPUKKKBAO-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-15-14(2,3)13(19)16-11(12(17)18)10-8-6-5-7-9-10/h5-9,11,15H,4H2,1-3H3,(H,16,19)(H,17,18)/t11-/m1/s1.
What are the key properties of (2R)-2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylacetic acid?
(2R)-2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylacetic acid has a molecular weight of 264.32 g/mol, XLogP of 1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 62836836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).