3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-phenylpropanoic acid

C14H20N2O3 — CID 64559399

IUPAC3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-phenylpropanoic acid
SMILESCC(NCC(C(=O)O)c1ccccc1)C(=O)N(C)C
InChIInChI=1S/C14H20N2O3/c1-10(13(17)16(2)3)15-9-12(14(18)19)11-7-5-4-6-8-11/h4-8,10,12,15H,9H2,1-3H3,(H,18,19)
InChIKeyZJEPQOJYZWTWSM-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.92
Rot. Bonds6

About 3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-phenylpropanoic acid

3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-phenylpropanoic acid (PubChem CID 64559399) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-phenylpropanoic acid
PubChem CID64559399
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-phenylpropanoic acid
SMILESCC(NCC(C(=O)O)c1ccccc1)C(=O)N(C)C
InChIInChI=1S/C14H20N2O3/c1-10(13(17)16(2)3)15-9-12(14(18)19)11-7-5-4-6-8-11/h4-8,10,12,15H,9H2,1-3H3,(H,18,19)
InChIKeyZJEPQOJYZWTWSM-UHFFFAOYSA-N
XLogP0.92
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-3-[[(1R)-1-phenylethyl]amino]propanoic acid
CID 78996615
3-(2,2-dimethylhydrazinyl)-2-phenylpropanoic acid
CID 83013948
3-(3-ethylpentan-2-ylamino)-2-phenylpropanoic acid
CID 64559425
3-(methylamino)-2-phenylpropanoic acid;hydrochloride
CID 134828159
3-[2-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid
CID 62878150
2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-N,N-dimethylpropanamide
CID 61464733
N-ethyl-2-[(2-hydroxy-2-phenylethyl)amino]-N-methylpropanamide
CID 103108745
3-[1-(2-chlorophenyl)ethylamino]-2-phenylpropanoic acid
CID 64558637
3-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-phenylpropanoic acid
CID 81399651
(2S)-3-amino-N,N-dimethyl-2-phenylpropanamide
CID 94888711
4-[[(1S)-1-carboxyethyl]amino]-2-phenylbutanoic acid
CID 67799293
3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-2-phenylpropanoic acid
CID 81351937

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-phenylpropanoic acid?
The IUPAC name of 3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-phenylpropanoic acid (CID 64559399) is 3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-phenylpropanoic acid?
The canonical SMILES for 3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-phenylpropanoic acid is CC(NCC(C(=O)O)c1ccccc1)C(=O)N(C)C.
What is the InChIKey of 3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-phenylpropanoic acid?
The InChIKey is ZJEPQOJYZWTWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(13(17)16(2)3)15-9-12(14(18)19)11-7-5-4-6-8-11/h4-8,10,12,15H,9H2,1-3H3,(H,18,19).
What are the key properties of 3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-phenylpropanoic acid?
3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-phenylpropanoic acid has a molecular weight of 264.32 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-phenylpropanoic acid is sourced from PubChem (CID 64559399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).