3-phenylpropanoyl 3-amino-3-phenylpropanoate

C18H19NO3 — CID 174426810

IUPAC3-phenylpropanoyl 3-amino-3-phenylpropanoate
SMILESNC(CC(=O)OC(=O)CCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO3/c19-16(15-9-5-2-6-10-15)13-18(21)22-17(20)12-11-14-7-3-1-4-8-14/h1-10,16H,11-13,19H2
InChIKeyNYXODZSYRJFPHH-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.78
Rot. Bonds6

About 3-phenylpropanoyl 3-amino-3-phenylpropanoate

3-phenylpropanoyl 3-amino-3-phenylpropanoate (PubChem CID 174426810) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 3-phenylpropanoyl 3-amino-3-phenylpropanoate.

Molecular Properties

Compound Name3-phenylpropanoyl 3-amino-3-phenylpropanoate
PubChem CID174426810
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name3-phenylpropanoyl 3-amino-3-phenylpropanoate
SMILESNC(CC(=O)OC(=O)CCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO3/c19-16(15-9-5-2-6-10-15)13-18(21)22-17(20)12-11-14-7-3-1-4-8-14/h1-10,16H,11-13,19H2
InChIKeyNYXODZSYRJFPHH-UHFFFAOYSA-N
XLogP2.78
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-phenylpropanoyl 3-phenylpropanoate
CID 13024780
carbamoyl 3-phenylpropanoate
CID 56614916
propanoyl 3-phenylpropanoate
CID 19437711
3-phenylpropanoyl (2S)-2-amino-3-phenylpropanoate
CID 90751504
1-amino-1,6-diphenylhexan-3-one
CID 116552978
(2-methylpropan-2-yl)oxycarbonyl (3S)-3-amino-3-phenylpropanoate
CID 174500905
3-[4-(1-amino-3-methoxy-3-oxopropyl)phenyl]propanoic acid;hydrochloride
CID 162344784
[(1S)-1-phenylethyl] 3-phenylpropanoate
CID 102211488
methyl 3-[4-[amino(phenyl)methyl]phenyl]propanoate
CID 10635677
methanesulfonic acid;methyl 3-amino-3-phenylpropanoate
CID 86623650
methylsulfonyl (3R)-3-amino-3-phenylpropanoate
CID 87900955
N-(3-amino-3-phenylpropyl)-3-phenylpropanamide
CID 80505663

Frequently Asked Questions

What is the IUPAC name of 3-phenylpropanoyl 3-amino-3-phenylpropanoate?
The IUPAC name of 3-phenylpropanoyl 3-amino-3-phenylpropanoate (CID 174426810) is 3-phenylpropanoyl 3-amino-3-phenylpropanoate.
What is the SMILES notation for 3-phenylpropanoyl 3-amino-3-phenylpropanoate?
The canonical SMILES for 3-phenylpropanoyl 3-amino-3-phenylpropanoate is NC(CC(=O)OC(=O)CCc1ccccc1)c1ccccc1.
What is the InChIKey of 3-phenylpropanoyl 3-amino-3-phenylpropanoate?
The InChIKey is NYXODZSYRJFPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c19-16(15-9-5-2-6-10-15)13-18(21)22-17(20)12-11-14-7-3-1-4-8-14/h1-10,16H,11-13,19H2.
What are the key properties of 3-phenylpropanoyl 3-amino-3-phenylpropanoate?
3-phenylpropanoyl 3-amino-3-phenylpropanoate has a molecular weight of 297.35 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpropanoyl 3-amino-3-phenylpropanoate is sourced from PubChem (CID 174426810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).