2-[methyl-(4-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid

C10H17N3O4 — CID 64694737

IUPAC2-[methyl-(4-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)N1CCN(C)C(=O)C1
InChIInChI=1S/C10H17N3O4/c1-7(9(15)16)12(3)10(17)13-5-4-11(2)8(14)6-13/h7H,4-6H2,1-3H3,(H,15,16)
InChIKeyKSLINTMZJCXVBK-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.71
Rot. Bonds2

About 2-[methyl-(4-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid

2-[methyl-(4-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid (PubChem CID 64694737) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[methyl-(4-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-(4-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid
PubChem CID64694737
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name2-[methyl-(4-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)N1CCN(C)C(=O)C1
InChIInChI=1S/C10H17N3O4/c1-7(9(15)16)12(3)10(17)13-5-4-11(2)8(14)6-13/h7H,4-6H2,1-3H3,(H,15,16)
InChIKeyKSLINTMZJCXVBK-UHFFFAOYSA-N
XLogP-0.71
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[methyl-(4-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid (CID 64694737) is 2-[methyl-(4-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl-(4-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[methyl-(4-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid is CC(C(=O)O)N(C)C(=O)N1CCN(C)C(=O)C1.
What is the InChIKey of 2-[methyl-(4-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid?
The InChIKey is KSLINTMZJCXVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-7(9(15)16)12(3)10(17)13-5-4-11(2)8(14)6-13/h7H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 2-[methyl-(4-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid?
2-[methyl-(4-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid has a molecular weight of 243.26 g/mol, XLogP of -0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 64694737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).