methyl (2R)-2-[[(2R)-1,4-diacetylpiperazine-2-carbonyl]amino]propanoate

C13H21N3O5 — CID 7663697

IUPACmethyl (2R)-2-[[(2R)-1,4-diacetylpiperazine-2-carbonyl]amino]propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)[C@H]1CN(C(C)=O)CCN1C(C)=O
InChIInChI=1S/C13H21N3O5/c1-8(13(20)21-4)14-12(19)11-7-15(9(2)17)5-6-16(11)10(3)18/h8,11H,5-7H2,1-4H3,(H,14,19)/t8-,11-/m1/s1
InChIKeyDXCAFWBHWZBSKX-LDYMZIIASA-N
MW299.33 g/mol
LogP-1.26
Rot. Bonds3

About methyl (2R)-2-[[(2R)-1,4-diacetylpiperazine-2-carbonyl]amino]propanoate

methyl (2R)-2-[[(2R)-1,4-diacetylpiperazine-2-carbonyl]amino]propanoate (PubChem CID 7663697) has the molecular formula C13H21N3O5 and a molecular weight of 299.33 g/mol. Its IUPAC name is methyl (2R)-2-[[(2R)-1,4-diacetylpiperazine-2-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[(2R)-1,4-diacetylpiperazine-2-carbonyl]amino]propanoate
PubChem CID7663697
Molecular FormulaC13H21N3O5
Molecular Weight299.33 g/mol
Exact Mass299.15
IUPAC Namemethyl (2R)-2-[[(2R)-1,4-diacetylpiperazine-2-carbonyl]amino]propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)[C@H]1CN(C(C)=O)CCN1C(C)=O
InChIInChI=1S/C13H21N3O5/c1-8(13(20)21-4)14-12(19)11-7-15(9(2)17)5-6-16(11)10(3)18/h8,11H,5-7H2,1-4H3,(H,14,19)/t8-,11-/m1/s1
InChIKeyDXCAFWBHWZBSKX-LDYMZIIASA-N
XLogP-1.26
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[(2R)-1,4-diacetylpiperazine-2-carbonyl]amino]propanoate?
The IUPAC name of methyl (2R)-2-[[(2R)-1,4-diacetylpiperazine-2-carbonyl]amino]propanoate (CID 7663697) is methyl (2R)-2-[[(2R)-1,4-diacetylpiperazine-2-carbonyl]amino]propanoate.
What is the SMILES notation for methyl (2R)-2-[[(2R)-1,4-diacetylpiperazine-2-carbonyl]amino]propanoate?
The canonical SMILES for methyl (2R)-2-[[(2R)-1,4-diacetylpiperazine-2-carbonyl]amino]propanoate is COC(=O)[C@@H](C)NC(=O)[C@H]1CN(C(C)=O)CCN1C(C)=O.
What is the InChIKey of methyl (2R)-2-[[(2R)-1,4-diacetylpiperazine-2-carbonyl]amino]propanoate?
The InChIKey is DXCAFWBHWZBSKX-LDYMZIIASA-N. The full InChI is InChI=1S/C13H21N3O5/c1-8(13(20)21-4)14-12(19)11-7-15(9(2)17)5-6-16(11)10(3)18/h8,11H,5-7H2,1-4H3,(H,14,19)/t8-,11-/m1/s1.
What are the key properties of methyl (2R)-2-[[(2R)-1,4-diacetylpiperazine-2-carbonyl]amino]propanoate?
methyl (2R)-2-[[(2R)-1,4-diacetylpiperazine-2-carbonyl]amino]propanoate has a molecular weight of 299.33 g/mol, XLogP of -1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[(2R)-1,4-diacetylpiperazine-2-carbonyl]amino]propanoate is sourced from PubChem (CID 7663697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).