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

C15H23N3O3 — CID 62488029

IUPAC2-[2-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid
SMILESCC(CNC(=O)NC(C)(C(=O)O)c1ccccc1)N(C)C
InChIInChI=1S/C15H23N3O3/c1-11(18(3)4)10-16-14(21)17-15(2,13(19)20)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,19,20)(H2,16,17,21)
InChIKeyKNZURDYPSACCFY-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.24
Rot. Bonds6

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

2-[2-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid (PubChem CID 62488029) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[2-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid
PubChem CID62488029
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[2-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid
SMILESCC(CNC(=O)NC(C)(C(=O)O)c1ccccc1)N(C)C
InChIInChI=1S/C15H23N3O3/c1-11(18(3)4)10-16-14(21)17-15(2,13(19)20)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,19,20)(H2,16,17,21)
InChIKeyKNZURDYPSACCFY-UHFFFAOYSA-N
XLogP1.24
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[butan-2-yl(methyl)carbamoyl]amino]-2-phenylpropanoic acid
CID 62489409
2-(2,2-dimethylbutylcarbamoylamino)-2-phenylpropanoic acid
CID 103463206
2-(2-ethoxyethylcarbamoylamino)-2-phenylpropanoic acid
CID 43457126
3-[2-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid
CID 62878150
2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
CID 43093716
(2R)-2-acetamido-2-phenylpropanoic acid
CID 91535796
2-phenyl-2-(2-propylpentanoylamino)propanoic acid
CID 82984964
2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-phenylpropanoic acid
CID 76944505
(2S)-2-(carbamoylamino)-2-phenylpropanoic acid
CID 94456492
2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylpropanoic acid
CID 62834631
2-[[(2S)-2-aminopentanoyl]amino]-2-phenylpropanoic acid
CID 103870869
2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-phenylpropanoic acid
CID 62488199

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid?
The IUPAC name of 2-[2-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid (CID 62488029) is 2-[2-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid.
What is the SMILES notation for 2-[2-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid?
The canonical SMILES for 2-[2-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid is CC(CNC(=O)NC(C)(C(=O)O)c1ccccc1)N(C)C.
What is the InChIKey of 2-[2-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid?
The InChIKey is KNZURDYPSACCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11(18(3)4)10-16-14(21)17-15(2,13(19)20)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,19,20)(H2,16,17,21).
What are the key properties of 2-[2-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid?
2-[2-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid has a molecular weight of 293.37 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid is sourced from PubChem (CID 62488029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).