methyl (2R)-2-[[(2R)-4-acetyl-1-(2-methoxyacetyl)piperazine-2-carbonyl]amino]propanoate

C14H23N3O6 — CID 7663252

IUPACmethyl (2R)-2-[[(2R)-4-acetyl-1-(2-methoxyacetyl)piperazine-2-carbonyl]amino]propanoate
SMILESCOCC(=O)N1CCN(C(C)=O)C[C@@H]1C(=O)N[C@H](C)C(=O)OC
InChIInChI=1S/C14H23N3O6/c1-9(14(21)23-4)15-13(20)11-7-16(10(2)18)5-6-17(11)12(19)8-22-3/h9,11H,5-8H2,1-4H3,(H,15,20)/t9-,11-/m1/s1
InChIKeyAEQVTILETLWIOU-MWLCHTKSSA-N
MW329.35 g/mol
LogP-1.63
Rot. Bonds5

About methyl (2R)-2-[[(2R)-4-acetyl-1-(2-methoxyacetyl)piperazine-2-carbonyl]amino]propanoate

methyl (2R)-2-[[(2R)-4-acetyl-1-(2-methoxyacetyl)piperazine-2-carbonyl]amino]propanoate (PubChem CID 7663252) has the molecular formula C14H23N3O6 and a molecular weight of 329.35 g/mol. Its IUPAC name is methyl (2R)-2-[[(2R)-4-acetyl-1-(2-methoxyacetyl)piperazine-2-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[(2R)-4-acetyl-1-(2-methoxyacetyl)piperazine-2-carbonyl]amino]propanoate
PubChem CID7663252
Molecular FormulaC14H23N3O6
Molecular Weight329.35 g/mol
Exact Mass329.16
IUPAC Namemethyl (2R)-2-[[(2R)-4-acetyl-1-(2-methoxyacetyl)piperazine-2-carbonyl]amino]propanoate
SMILESCOCC(=O)N1CCN(C(C)=O)C[C@@H]1C(=O)N[C@H](C)C(=O)OC
InChIInChI=1S/C14H23N3O6/c1-9(14(21)23-4)15-13(20)11-7-16(10(2)18)5-6-17(11)12(19)8-22-3/h9,11H,5-8H2,1-4H3,(H,15,20)/t9-,11-/m1/s1
InChIKeyAEQVTILETLWIOU-MWLCHTKSSA-N
XLogP-1.63
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 5-1.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (2R)-2-[[(2R)-4-acetyl-1-(2-methoxyacetyl)piperazine-2-carbonyl]amino]propanoate 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

methyl N-{[1-(2,2-dimethylpropyl)-3-oxo-2-piperazinyl]acetyl}-N-methylglycinate
CID 16191667
1-tert-Butyl 3-methyl 5-oxopiperazine-1,3-dicarboxylate
CID 59817704
(S)-1-(tert-Butyl) 3-methyl 5-oxopiperazine-1,3-dicarboxylate
CID 86690594
1-(tert-Butyl) 3-methyl (R)-5-oxopiperazine-1,3-dicarboxylate
CID 126509897
N-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 3229463
methyl (2R)-4-acetyl-1-(2-methoxyacetyl)piperazine-2-carboxylate
CID 7161633
2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 53513028
Methyl 1-acetylpiperazine-2-carboxylate
CID 45115682
Ethyl ((3-(4-morpholinyl)propyl)amino)(oxo)acetate
CID 366851
Ethyl {[2-(morpholin-4-YL)ethyl]carbamoyl}formate
CID 5152769
Methyl 4-methyl-5-oxopiperazine-2-carboxylate
CID 130002705
Methyl 1-acetylpiperazine-2-carboxylate dihydrochloride
CID 145884681

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[(2R)-4-acetyl-1-(2-methoxyacetyl)piperazine-2-carbonyl]amino]propanoate?
The IUPAC name of methyl (2R)-2-[[(2R)-4-acetyl-1-(2-methoxyacetyl)piperazine-2-carbonyl]amino]propanoate (CID 7663252) is methyl (2R)-2-[[(2R)-4-acetyl-1-(2-methoxyacetyl)piperazine-2-carbonyl]amino]propanoate.
What is the SMILES notation for methyl (2R)-2-[[(2R)-4-acetyl-1-(2-methoxyacetyl)piperazine-2-carbonyl]amino]propanoate?
The canonical SMILES for methyl (2R)-2-[[(2R)-4-acetyl-1-(2-methoxyacetyl)piperazine-2-carbonyl]amino]propanoate is COCC(=O)N1CCN(C(C)=O)C[C@@H]1C(=O)N[C@H](C)C(=O)OC.
What is the InChIKey of methyl (2R)-2-[[(2R)-4-acetyl-1-(2-methoxyacetyl)piperazine-2-carbonyl]amino]propanoate?
The InChIKey is AEQVTILETLWIOU-MWLCHTKSSA-N. The full InChI is InChI=1S/C14H23N3O6/c1-9(14(21)23-4)15-13(20)11-7-16(10(2)18)5-6-17(11)12(19)8-22-3/h9,11H,5-8H2,1-4H3,(H,15,20)/t9-,11-/m1/s1.
What are the key properties of methyl (2R)-2-[[(2R)-4-acetyl-1-(2-methoxyacetyl)piperazine-2-carbonyl]amino]propanoate?
methyl (2R)-2-[[(2R)-4-acetyl-1-(2-methoxyacetyl)piperazine-2-carbonyl]amino]propanoate has a molecular weight of 329.35 g/mol, XLogP of -1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[(2R)-4-acetyl-1-(2-methoxyacetyl)piperazine-2-carbonyl]amino]propanoate is sourced from PubChem (CID 7663252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).