2-[[(1S)-1-deuterio-3-phenylpropyl]amino]acetamide

C11H16N2O — CID 57056955

IUPAC2-[[(1S)-1-deuterio-3-phenylpropyl]amino]acetamide
SMILES[2H][C@@H](CCc1ccccc1)NCC(N)=O
InChIInChI=1S/C11H16N2O/c12-11(14)9-13-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,13H,4,7-9H2,(H2,12,14)/i8D/t8-/m0/s1
InChIKeyIJAHIYCDKUAKRB-KPSOOTRBSA-N
MW193.27 g/mol
LogP0.69
Rot. Bonds6

About 2-[[(1S)-1-deuterio-3-phenylpropyl]amino]acetamide

2-[[(1S)-1-deuterio-3-phenylpropyl]amino]acetamide (PubChem CID 57056955) has the molecular formula C11H16N2O and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-[[(1S)-1-deuterio-3-phenylpropyl]amino]acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-deuterio-3-phenylpropyl]amino]acetamide
PubChem CID57056955
Molecular FormulaC11H16N2O
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name2-[[(1S)-1-deuterio-3-phenylpropyl]amino]acetamide
SMILES[2H][C@@H](CCc1ccccc1)NCC(N)=O
InChIInChI=1S/C11H16N2O/c12-11(14)9-13-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,13H,4,7-9H2,(H2,12,14)/i8D/t8-/m0/s1
InChIKeyIJAHIYCDKUAKRB-KPSOOTRBSA-N
XLogP0.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-deuterio-3-phenylpropyl]amino]acetamide?
The IUPAC name of 2-[[(1S)-1-deuterio-3-phenylpropyl]amino]acetamide (CID 57056955) is 2-[[(1S)-1-deuterio-3-phenylpropyl]amino]acetamide.
What is the SMILES notation for 2-[[(1S)-1-deuterio-3-phenylpropyl]amino]acetamide?
The canonical SMILES for 2-[[(1S)-1-deuterio-3-phenylpropyl]amino]acetamide is [2H][C@@H](CCc1ccccc1)NCC(N)=O.
What is the InChIKey of 2-[[(1S)-1-deuterio-3-phenylpropyl]amino]acetamide?
The InChIKey is IJAHIYCDKUAKRB-KPSOOTRBSA-N. The full InChI is InChI=1S/C11H16N2O/c12-11(14)9-13-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,13H,4,7-9H2,(H2,12,14)/i8D/t8-/m0/s1.
What are the key properties of 2-[[(1S)-1-deuterio-3-phenylpropyl]amino]acetamide?
2-[[(1S)-1-deuterio-3-phenylpropyl]amino]acetamide has a molecular weight of 193.27 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-deuterio-3-phenylpropyl]amino]acetamide is sourced from PubChem (CID 57056955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).