2-[[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid

C14H20N4O4 — CID 119225033

IUPAC2-[[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid
SMILESCC(NC(=O)C1CCC(=O)N(C)C1c1cnn(C)c1)C(=O)O
InChIInChI=1S/C14H20N4O4/c1-8(14(21)22)16-13(20)10-4-5-11(19)18(3)12(10)9-6-15-17(2)7-9/h6-8,10,12H,4-5H2,1-3H3,(H,16,20)(H,21,22)
InChIKeyBEYAJLFTSFPTEP-UHFFFAOYSA-N
MW308.34 g/mol
LogP-0.08
Rot. Bonds4

About 2-[[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid

2-[[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid (PubChem CID 119225033) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-[[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid
PubChem CID119225033
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC Name2-[[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid
SMILESCC(NC(=O)C1CCC(=O)N(C)C1c1cnn(C)c1)C(=O)O
InChIInChI=1S/C14H20N4O4/c1-8(14(21)22)16-13(20)10-4-5-11(19)18(3)12(10)9-6-15-17(2)7-9/h6-8,10,12H,4-5H2,1-3H3,(H,16,20)(H,21,22)
InChIKeyBEYAJLFTSFPTEP-UHFFFAOYSA-N
XLogP-0.08
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid?
The IUPAC name of 2-[[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid (CID 119225033) is 2-[[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-[[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid is CC(NC(=O)C1CCC(=O)N(C)C1c1cnn(C)c1)C(=O)O.
What is the InChIKey of 2-[[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid?
The InChIKey is BEYAJLFTSFPTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4/c1-8(14(21)22)16-13(20)10-4-5-11(19)18(3)12(10)9-6-15-17(2)7-9/h6-8,10,12H,4-5H2,1-3H3,(H,16,20)(H,21,22).
What are the key properties of 2-[[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid?
2-[[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid has a molecular weight of 308.34 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 119225033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).