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

C15H23N3O3 — CID 62878319

IUPAC3-[3-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid
SMILESCN(C)CCCNC(=O)NCC(C(=O)O)c1ccccc1
InChIInChI=1S/C15H23N3O3/c1-18(2)10-6-9-16-15(21)17-11-13(14(19)20)12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3,(H,19,20)(H2,16,17,21)
InChIKeyUCMDWCCYOJAGAC-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.11
Rot. Bonds8

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

3-[3-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid (PubChem CID 62878319) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[3-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid
PubChem CID62878319
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-[3-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid
SMILESCN(C)CCCNC(=O)NCC(C(=O)O)c1ccccc1
InChIInChI=1S/C15H23N3O3/c1-18(2)10-6-9-16-15(21)17-11-13(14(19)20)12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3,(H,19,20)(H2,16,17,21)
InChIKeyUCMDWCCYOJAGAC-UHFFFAOYSA-N
XLogP1.11
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(dimethylamino)ethylcarbamoylamino]-2-phenylpropanoic acid
CID 62876756
3-[2-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid
CID 62878150
3-(pent-4-ynylcarbamoylamino)-2-phenylpropanoic acid
CID 106222891
3-(2,2-dimethylpropylcarbamoylamino)-2-phenylpropanoic acid
CID 62878856
methyl 3-[3-(dimethylamino)propylamino]-2-phenylpropanoate
CID 64567480
3-(2,2-dimethylhydrazinyl)-2-phenylpropanoic acid
CID 83013948
3-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-phenylpropanoic acid
CID 62878325
3-[3-(dimethylamino)propyl]-1,1-diphenylurea
CID 3525114
(2S)-2-[2-(dimethylamino)ethylcarbamoylamino]-2-phenylacetic acid
CID 104898882
2-amino-N-[4-(dimethylamino)butyl]-2-phenylacetamide;dihydrochloride
CID 119852800
3-[[methyl(pentan-3-yl)carbamoyl]amino]-2-phenylpropanoic acid
CID 62877970
N-(2,2-diphenylethyl)-N',N'-dimethylpropane-1,3-diamine
CID 103603219

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid?
The IUPAC name of 3-[3-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid (CID 62878319) is 3-[3-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[3-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid?
The canonical SMILES for 3-[3-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid is CN(C)CCCNC(=O)NCC(C(=O)O)c1ccccc1.
What is the InChIKey of 3-[3-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid?
The InChIKey is UCMDWCCYOJAGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-18(2)10-6-9-16-15(21)17-11-13(14(19)20)12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3,(H,19,20)(H2,16,17,21).
What are the key properties of 3-[3-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid?
3-[3-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid has a molecular weight of 293.37 g/mol, XLogP of 1.11, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid is sourced from PubChem (CID 62878319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).