3-[2-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid

C15H23N3O3 — CID 62878150

IUPAC3-[2-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid
SMILESCC(CNC(=O)NCC(C(=O)O)c1ccccc1)N(C)C
InChIInChI=1S/C15H23N3O3/c1-11(18(2)3)9-16-15(21)17-10-13(14(19)20)12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,19,20)(H2,16,17,21)
InChIKeyAYSBLUZUDWZICA-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.10
Rot. Bonds7

About 3-[2-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid

3-[2-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid (PubChem CID 62878150) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[2-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[2-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid
PubChem CID62878150
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-[2-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid
SMILESCC(CNC(=O)NCC(C(=O)O)c1ccccc1)N(C)C
InChIInChI=1S/C15H23N3O3/c1-11(18(2)3)9-16-15(21)17-10-13(14(19)20)12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,19,20)(H2,16,17,21)
InChIKeyAYSBLUZUDWZICA-UHFFFAOYSA-N
XLogP1.10
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(dimethylamino)ethylcarbamoylamino]-2-phenylpropanoic acid
CID 62876756
3-[3-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid
CID 62878319
3-(2,2-dimethylpropylcarbamoylamino)-2-phenylpropanoic acid
CID 62878856
3-[[methyl(pentan-3-yl)carbamoyl]amino]-2-phenylpropanoic acid
CID 62877970
(2R)-2-amino-N-[2-(dimethylamino)propyl]-2-phenylacetamide
CID 61156707
3-(2,2-dimethylhydrazinyl)-2-phenylpropanoic acid
CID 83013948
3-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylpropanoic acid
CID 119254729
2-phenyl-3-(3-phenylbutanoylamino)propanoic acid
CID 119254594
3-(4-methylpentanoylamino)-2-phenylpropanoic acid
CID 62883511
2-phenyl-3-(2,3,3-trimethylbutanoylamino)propanoic acid
CID 120688095
3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-phenylpropanoic acid
CID 64559399
3-amino-N-[2-(dimethylamino)propyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119861809

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid?
The IUPAC name of 3-[2-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid (CID 62878150) is 3-[2-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[2-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid?
The canonical SMILES for 3-[2-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid is CC(CNC(=O)NCC(C(=O)O)c1ccccc1)N(C)C.
What is the InChIKey of 3-[2-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid?
The InChIKey is AYSBLUZUDWZICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11(18(2)3)9-16-15(21)17-10-13(14(19)20)12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,19,20)(H2,16,17,21).
What are the key properties of 3-[2-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid?
3-[2-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid has a molecular weight of 293.37 g/mol, XLogP of 1.10, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid is sourced from PubChem (CID 62878150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).