3-amino-1-cyclopropyl-3-phenylpropan-1-one

C12H15NO — CID 116553143

IUPAC3-amino-1-cyclopropyl-3-phenylpropan-1-one
SMILESNC(CC(=O)C1CC1)c1ccccc1
InChIInChI=1S/C12H15NO/c13-11(8-12(14)10-6-7-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8,13H2
InChIKeyPWOIOODSOJHNDS-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.06
Rot. Bonds4

About 3-amino-1-cyclopropyl-3-phenylpropan-1-one

3-amino-1-cyclopropyl-3-phenylpropan-1-one (PubChem CID 116553143) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-amino-1-cyclopropyl-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-cyclopropyl-3-phenylpropan-1-one
PubChem CID116553143
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3-amino-1-cyclopropyl-3-phenylpropan-1-one
SMILESNC(CC(=O)C1CC1)c1ccccc1
InChIInChI=1S/C12H15NO/c13-11(8-12(14)10-6-7-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8,13H2
InChIKeyPWOIOODSOJHNDS-UHFFFAOYSA-N
XLogP2.06
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-amino-1-cyclopropyl-3-phenylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 61160281
(1R)-1-amino-4-methyl-1-phenylpentan-3-one
CID 58688874
sodium 3-amino-3-phenylpropanoate
CID 67838286
2-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 64816023
N-(3-amino-3-phenylpropyl)cyclopropanecarboxamide
CID 80506627
3-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpropanamide;hydrochloride
CID 119949354
3-amino-N-[2-(aminomethyl)cyclohexyl]-3-phenylpropanamide
CID 122080744
1-(3-amino-3-phenylpropanoyl)azepane-2-carboxylic acid
CID 64561727
3-amino-1-(4-benzoylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119949267
(3R)-1-(3-amino-3-phenylpropanoyl)piperidine-3-carboxylic acid
CID 81120276
1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-3-amino-3-phenylpropan-1-one;hydrochloride
CID 119951607
3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-phenylpropan-1-one
CID 62941753

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclopropyl-3-phenylpropan-1-one?
The IUPAC name of 3-amino-1-cyclopropyl-3-phenylpropan-1-one (CID 116553143) is 3-amino-1-cyclopropyl-3-phenylpropan-1-one.
What is the SMILES notation for 3-amino-1-cyclopropyl-3-phenylpropan-1-one?
The canonical SMILES for 3-amino-1-cyclopropyl-3-phenylpropan-1-one is NC(CC(=O)C1CC1)c1ccccc1.
What is the InChIKey of 3-amino-1-cyclopropyl-3-phenylpropan-1-one?
The InChIKey is PWOIOODSOJHNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c13-11(8-12(14)10-6-7-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8,13H2.
What are the key properties of 3-amino-1-cyclopropyl-3-phenylpropan-1-one?
3-amino-1-cyclopropyl-3-phenylpropan-1-one has a molecular weight of 189.26 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cyclopropyl-3-phenylpropan-1-one is sourced from PubChem (CID 116553143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).