methyl 2-methyl-2-[[2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetyl]amino]propanoate

C14H25N3O4 — CID 95124713

IUPACmethyl 2-methyl-2-[[2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetyl]amino]propanoate
SMILESCOC(=O)C(C)(C)NC(=O)C[C@H]1C(=O)NCCN1C(C)C
InChIInChI=1S/C14H25N3O4/c1-9(2)17-7-6-15-12(19)10(17)8-11(18)16-14(3,4)13(20)21-5/h9-10H,6-8H2,1-5H3,(H,15,19)(H,16,18)/t10-/m0/s1
InChIKeyZKYFWDSSENSBAZ-JTQLQIEISA-N
MW299.37 g/mol
LogP-0.35
Rot. Bonds5

About methyl 2-methyl-2-[[2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetyl]amino]propanoate

methyl 2-methyl-2-[[2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetyl]amino]propanoate (PubChem CID 95124713) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is methyl 2-methyl-2-[[2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[[2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetyl]amino]propanoate
PubChem CID95124713
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Namemethyl 2-methyl-2-[[2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetyl]amino]propanoate
SMILESCOC(=O)C(C)(C)NC(=O)C[C@H]1C(=O)NCCN1C(C)C
InChIInChI=1S/C14H25N3O4/c1-9(2)17-7-6-15-12(19)10(17)8-11(18)16-14(3,4)13(20)21-5/h9-10H,6-8H2,1-5H3,(H,15,19)(H,16,18)/t10-/m0/s1
InChIKeyZKYFWDSSENSBAZ-JTQLQIEISA-N
XLogP-0.35
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[[2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetyl]amino]propanoate?
The IUPAC name of methyl 2-methyl-2-[[2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetyl]amino]propanoate (CID 95124713) is methyl 2-methyl-2-[[2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetyl]amino]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[[2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetyl]amino]propanoate?
The canonical SMILES for methyl 2-methyl-2-[[2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetyl]amino]propanoate is COC(=O)C(C)(C)NC(=O)C[C@H]1C(=O)NCCN1C(C)C.
What is the InChIKey of methyl 2-methyl-2-[[2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetyl]amino]propanoate?
The InChIKey is ZKYFWDSSENSBAZ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H25N3O4/c1-9(2)17-7-6-15-12(19)10(17)8-11(18)16-14(3,4)13(20)21-5/h9-10H,6-8H2,1-5H3,(H,15,19)(H,16,18)/t10-/m0/s1.
What are the key properties of methyl 2-methyl-2-[[2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetyl]amino]propanoate?
methyl 2-methyl-2-[[2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetyl]amino]propanoate has a molecular weight of 299.37 g/mol, XLogP of -0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[[2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetyl]amino]propanoate is sourced from PubChem (CID 95124713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).