4-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid

C14H23N3O3 — CID 43360092

IUPAC4-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
SMILESCc1nn(C)c(C)c1CCC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C14H23N3O3/c1-10-12(11(2)17(4)15-10)7-8-13(18)16(3)9-5-6-14(19)20/h5-9H2,1-4H3,(H,19,20)
InChIKeyVWAFUZODLAHURG-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.29
Rot. Bonds7

About 4-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid

4-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid (PubChem CID 43360092) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
PubChem CID43360092
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name4-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
SMILESCc1nn(C)c(C)c1CCC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C14H23N3O3/c1-10-12(11(2)17(4)15-10)7-8-13(18)16(3)9-5-6-14(19)20/h5-9H2,1-4H3,(H,19,20)
InChIKeyVWAFUZODLAHURG-UHFFFAOYSA-N
XLogP1.29
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid?
The IUPAC name of 4-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid (CID 43360092) is 4-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid.
What is the SMILES notation for 4-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid?
The canonical SMILES for 4-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid is Cc1nn(C)c(C)c1CCC(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid?
The InChIKey is VWAFUZODLAHURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-10-12(11(2)17(4)15-10)7-8-13(18)16(3)9-5-6-14(19)20/h5-9H2,1-4H3,(H,19,20).
What are the key properties of 4-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid?
4-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid has a molecular weight of 281.36 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid is sourced from PubChem (CID 43360092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).