2-methyl-2-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]propanoic acid

C14H20N2O3 — CID 65263855

IUPAC2-methyl-2-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]propanoic acid
SMILESCC(C)(NCC(=O)NCCc1ccccc1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-14(2,13(18)19)16-10-12(17)15-9-8-11-6-4-3-5-7-11/h3-7,16H,8-10H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyHOPAFTSNCOOZKD-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.80
Rot. Bonds7

About 2-methyl-2-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]propanoic acid

2-methyl-2-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]propanoic acid (PubChem CID 65263855) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-methyl-2-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]propanoic acid
PubChem CID65263855
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-methyl-2-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]propanoic acid
SMILESCC(C)(NCC(=O)NCCc1ccccc1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-14(2,13(18)19)16-10-12(17)15-9-8-11-6-4-3-5-7-11/h3-7,16H,8-10H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyHOPAFTSNCOOZKD-UHFFFAOYSA-N
XLogP0.80
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65264125
4-[2-[[2-(tert-butylamino)acetyl]amino]ethyl]benzoic acid
CID 79256871
3-hydroxy-N-[2-oxo-2-(2-phenylethylamino)ethyl]-3-phenylbutanamide
CID 110025113
N-(2-phenylethyl)-2-(propylamino)acetamide
CID 54818782
2-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)acetamide
CID 112604896
2-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]-2-phenylpropanamide;hydrochloride
CID 120590847
2-(benzylsulfonylamino)-N-(2-phenylethyl)acetamide
CID 39192170
2-(2,6-diethylanilino)-N-(2-phenylethyl)acetamide
CID 108999995
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
2-methyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 65264174
(3S)-3,4,4-trimethyl-N-(2-phenylethyl)pentanamide
CID 97019359
2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263929

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]propanoic acid (CID 65263855) is 2-methyl-2-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]propanoic acid is CC(C)(NCC(=O)NCCc1ccccc1)C(=O)O.
What is the InChIKey of 2-methyl-2-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]propanoic acid?
The InChIKey is HOPAFTSNCOOZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,13(18)19)16-10-12(17)15-9-8-11-6-4-3-5-7-11/h3-7,16H,8-10H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-methyl-2-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]propanoic acid?
2-methyl-2-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]propanoic acid has a molecular weight of 264.32 g/mol, XLogP of 0.80, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]propanoic acid is sourced from PubChem (CID 65263855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).