4-[(2R)-2-amino-2-phenylacetyl]-3,3-dimethylpiperazine-2,6-dione

C14H17N3O3 — CID 66075011

IUPAC4-[(2R)-2-amino-2-phenylacetyl]-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C14H17N3O3/c1-14(2)13(20)16-10(18)8-17(14)12(19)11(15)9-6-4-3-5-7-9/h3-7,11H,8,15H2,1-2H3,(H,16,18,20)/t11-/m1/s1
InChIKeyNJQQAOBNDGQNBC-LLVKDONJSA-N
MW275.31 g/mol
LogP-0.05
Rot. Bonds2

About 4-[(2R)-2-amino-2-phenylacetyl]-3,3-dimethylpiperazine-2,6-dione

4-[(2R)-2-amino-2-phenylacetyl]-3,3-dimethylpiperazine-2,6-dione (PubChem CID 66075011) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-[(2R)-2-amino-2-phenylacetyl]-3,3-dimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[(2R)-2-amino-2-phenylacetyl]-3,3-dimethylpiperazine-2,6-dione
PubChem CID66075011
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4-[(2R)-2-amino-2-phenylacetyl]-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C14H17N3O3/c1-14(2)13(20)16-10(18)8-17(14)12(19)11(15)9-6-4-3-5-7-9/h3-7,11H,8,15H2,1-2H3,(H,16,18,20)/t11-/m1/s1
InChIKeyNJQQAOBNDGQNBC-LLVKDONJSA-N
XLogP-0.05
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-amino-2-phenylacetyl]-3,3-dimethylpiperazine-2,6-dione?
The IUPAC name of 4-[(2R)-2-amino-2-phenylacetyl]-3,3-dimethylpiperazine-2,6-dione (CID 66075011) is 4-[(2R)-2-amino-2-phenylacetyl]-3,3-dimethylpiperazine-2,6-dione.
What is the SMILES notation for 4-[(2R)-2-amino-2-phenylacetyl]-3,3-dimethylpiperazine-2,6-dione?
The canonical SMILES for 4-[(2R)-2-amino-2-phenylacetyl]-3,3-dimethylpiperazine-2,6-dione is CC1(C)C(=O)NC(=O)CN1C(=O)[C@H](N)c1ccccc1.
What is the InChIKey of 4-[(2R)-2-amino-2-phenylacetyl]-3,3-dimethylpiperazine-2,6-dione?
The InChIKey is NJQQAOBNDGQNBC-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-14(2)13(20)16-10(18)8-17(14)12(19)11(15)9-6-4-3-5-7-9/h3-7,11H,8,15H2,1-2H3,(H,16,18,20)/t11-/m1/s1.
What are the key properties of 4-[(2R)-2-amino-2-phenylacetyl]-3,3-dimethylpiperazine-2,6-dione?
4-[(2R)-2-amino-2-phenylacetyl]-3,3-dimethylpiperazine-2,6-dione has a molecular weight of 275.31 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-amino-2-phenylacetyl]-3,3-dimethylpiperazine-2,6-dione is sourced from PubChem (CID 66075011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).