methyl 3-[[3-(1-aminoethyl)phenyl]carbamoylamino]propanoate

C13H19N3O3 — CID 61341694

IUPACmethyl 3-[[3-(1-aminoethyl)phenyl]carbamoylamino]propanoate
SMILESCOC(=O)CCNC(=O)Nc1cccc(C(C)N)c1
InChIInChI=1S/C13H19N3O3/c1-9(14)10-4-3-5-11(8-10)16-13(18)15-7-6-12(17)19-2/h3-5,8-9H,6-7,14H2,1-2H3,(H2,15,16,18)
InChIKeyJEODMDAMQZTKFY-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.39
Rot. Bonds5

About methyl 3-[[3-(1-aminoethyl)phenyl]carbamoylamino]propanoate

methyl 3-[[3-(1-aminoethyl)phenyl]carbamoylamino]propanoate (PubChem CID 61341694) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 3-[[3-(1-aminoethyl)phenyl]carbamoylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[3-(1-aminoethyl)phenyl]carbamoylamino]propanoate
PubChem CID61341694
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl 3-[[3-(1-aminoethyl)phenyl]carbamoylamino]propanoate
SMILESCOC(=O)CCNC(=O)Nc1cccc(C(C)N)c1
InChIInChI=1S/C13H19N3O3/c1-9(14)10-4-3-5-11(8-10)16-13(18)15-7-6-12(17)19-2/h3-5,8-9H,6-7,14H2,1-2H3,(H2,15,16,18)
InChIKeyJEODMDAMQZTKFY-UHFFFAOYSA-N
XLogP1.39
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(1-aminoethyl)phenyl]-3-(2-methoxyethyl)urea
CID 61340896
1-[3-(1-aminoethyl)phenyl]-3-propylurea
CID 43210542
1-[3-(1-aminoethyl)phenyl]-3-(2-methylsulfonylethyl)urea
CID 61340525
methyl 3-[(3-chlorophenyl)carbamoylamino]propanoate
CID 3440134
2-[[3-(1-aminoethyl)phenyl]carbamoylamino]-N-propan-2-ylacetamide
CID 61341683
1-[3-(1-aminoethyl)phenyl]-3-(2,3,3-trimethylbutyl)urea
CID 83147014
1-[3-(1-aminoethyl)phenyl]-3-(3-cyclopentylpropyl)urea
CID 106014699
methyl 3-[(3,4-dichlorophenyl)carbamoylamino]propanoate
CID 3810392
1-[3-(1-aminoethyl)phenyl]-3-(2-morpholin-4-ylethyl)urea
CID 61339652
1-[3-(1-aminoethyl)phenyl]-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea
CID 106407545
ethyl 2-[(3-propan-2-ylphenyl)carbamoylamino]acetate
CID 43385028
1-[3-(1-aminoethyl)phenyl]-3-(4-methylpentan-2-yl)urea
CID 61341307

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-(1-aminoethyl)phenyl]carbamoylamino]propanoate?
The IUPAC name of methyl 3-[[3-(1-aminoethyl)phenyl]carbamoylamino]propanoate (CID 61341694) is methyl 3-[[3-(1-aminoethyl)phenyl]carbamoylamino]propanoate.
What is the SMILES notation for methyl 3-[[3-(1-aminoethyl)phenyl]carbamoylamino]propanoate?
The canonical SMILES for methyl 3-[[3-(1-aminoethyl)phenyl]carbamoylamino]propanoate is COC(=O)CCNC(=O)Nc1cccc(C(C)N)c1.
What is the InChIKey of methyl 3-[[3-(1-aminoethyl)phenyl]carbamoylamino]propanoate?
The InChIKey is JEODMDAMQZTKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(14)10-4-3-5-11(8-10)16-13(18)15-7-6-12(17)19-2/h3-5,8-9H,6-7,14H2,1-2H3,(H2,15,16,18).
What are the key properties of methyl 3-[[3-(1-aminoethyl)phenyl]carbamoylamino]propanoate?
methyl 3-[[3-(1-aminoethyl)phenyl]carbamoylamino]propanoate has a molecular weight of 265.31 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-(1-aminoethyl)phenyl]carbamoylamino]propanoate is sourced from PubChem (CID 61341694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).