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

C12H19N3O3 — CID 43356307

IUPAC2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid
SMILESCc1nn(C)c(C)c1CCC(=O)N(C)CC(=O)O
InChIInChI=1S/C12H19N3O3/c1-8-10(9(2)15(4)13-8)5-6-11(16)14(3)7-12(17)18/h5-7H2,1-4H3,(H,17,18)
InChIKeyUWPNVDIFPQHEBO-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.51
Rot. Bonds5

About 2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid

2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid (PubChem CID 43356307) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid
PubChem CID43356307
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid
SMILESCc1nn(C)c(C)c1CCC(=O)N(C)CC(=O)O
InChIInChI=1S/C12H19N3O3/c1-8-10(9(2)15(4)13-8)5-6-11(16)14(3)7-12(17)18/h5-7H2,1-4H3,(H,17,18)
InChIKeyUWPNVDIFPQHEBO-UHFFFAOYSA-N
XLogP0.51
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid (CID 43356307) is 2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid is Cc1nn(C)c(C)c1CCC(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid?
The InChIKey is UWPNVDIFPQHEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8-10(9(2)15(4)13-8)5-6-11(16)14(3)7-12(17)18/h5-7H2,1-4H3,(H,17,18).
What are the key properties of 2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid?
2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid has a molecular weight of 253.30 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid is sourced from PubChem (CID 43356307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).