3-[(3-amino-3-phenylpropanoyl)-cyclopropylamino]propanoic acid

C15H20N2O3 — CID 61161827

IUPAC3-[(3-amino-3-phenylpropanoyl)-cyclopropylamino]propanoic acid
SMILESNC(CC(=O)N(CCC(=O)O)C1CC1)c1ccccc1
InChIInChI=1S/C15H20N2O3/c16-13(11-4-2-1-3-5-11)10-14(18)17(12-6-7-12)9-8-15(19)20/h1-5,12-13H,6-10,16H2,(H,19,20)
InChIKeyOAQPJAMQTKUKAN-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.54
Rot. Bonds7

About 3-[(3-amino-3-phenylpropanoyl)-cyclopropylamino]propanoic acid

3-[(3-amino-3-phenylpropanoyl)-cyclopropylamino]propanoic acid (PubChem CID 61161827) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[(3-amino-3-phenylpropanoyl)-cyclopropylamino]propanoic acid.

Molecular Properties

Compound Name3-[(3-amino-3-phenylpropanoyl)-cyclopropylamino]propanoic acid
PubChem CID61161827
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-[(3-amino-3-phenylpropanoyl)-cyclopropylamino]propanoic acid
SMILESNC(CC(=O)N(CCC(=O)O)C1CC1)c1ccccc1
InChIInChI=1S/C15H20N2O3/c16-13(11-4-2-1-3-5-11)10-14(18)17(12-6-7-12)9-8-15(19)20/h1-5,12-13H,6-10,16H2,(H,19,20)
InChIKeyOAQPJAMQTKUKAN-UHFFFAOYSA-N
XLogP1.54
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-phenylpropanamide
CID 54916242
3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-3-phenylpropanamide;hydrochloride
CID 119950307
3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-phenylpropanamide;hydrochloride
CID 119949645
3-amino-N-cyclopropyl-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 119950141
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-phenylpropanamide;dihydrochloride
CID 119953402
3-amino-N,N-dimethyl-3-phenylpropanamide
CID 24691874
3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanoic acid
CID 60886672
3-amino-1-cyclopropyl-3-phenylpropan-1-one
CID 116553143
N-benzyl-N-cyclopropyl-3,3-diphenylpropanamide
CID 55549162
3-amino-N-(1,1-dioxothiolan-3-yl)-3-phenyl-N-prop-2-enylpropanamide
CID 119950451
3-amino-N-methyl-3-phenyl-N-(thiolan-3-yl)propanamide
CID 43296719
3-[cyclopropyl-(2-pyridin-2-ylacetyl)amino]propanoic acid
CID 54926408

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-3-phenylpropanoyl)-cyclopropylamino]propanoic acid?
The IUPAC name of 3-[(3-amino-3-phenylpropanoyl)-cyclopropylamino]propanoic acid (CID 61161827) is 3-[(3-amino-3-phenylpropanoyl)-cyclopropylamino]propanoic acid.
What is the SMILES notation for 3-[(3-amino-3-phenylpropanoyl)-cyclopropylamino]propanoic acid?
The canonical SMILES for 3-[(3-amino-3-phenylpropanoyl)-cyclopropylamino]propanoic acid is NC(CC(=O)N(CCC(=O)O)C1CC1)c1ccccc1.
What is the InChIKey of 3-[(3-amino-3-phenylpropanoyl)-cyclopropylamino]propanoic acid?
The InChIKey is OAQPJAMQTKUKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-13(11-4-2-1-3-5-11)10-14(18)17(12-6-7-12)9-8-15(19)20/h1-5,12-13H,6-10,16H2,(H,19,20).
What are the key properties of 3-[(3-amino-3-phenylpropanoyl)-cyclopropylamino]propanoic acid?
3-[(3-amino-3-phenylpropanoyl)-cyclopropylamino]propanoic acid has a molecular weight of 276.34 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-3-phenylpropanoyl)-cyclopropylamino]propanoic acid is sourced from PubChem (CID 61161827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).