2-[1-(1-methyl-5-propylpyrazol-3-yl)butan-2-ylamino]acetic acid

C13H23N3O2 — CID 130305352

IUPAC2-[1-(1-methyl-5-propylpyrazol-3-yl)butan-2-ylamino]acetic acid
SMILESCCCc1cc(CC(CC)NCC(=O)O)nn1C
InChIInChI=1S/C13H23N3O2/c1-4-6-12-8-11(15-16(12)3)7-10(5-2)14-9-13(17)18/h8,10,14H,4-7,9H2,1-3H3,(H,17,18)
InChIKeyCCUGRBAOUHYRAG-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.37
Rot. Bonds8

About 2-[1-(1-methyl-5-propylpyrazol-3-yl)butan-2-ylamino]acetic acid

2-[1-(1-methyl-5-propylpyrazol-3-yl)butan-2-ylamino]acetic acid (PubChem CID 130305352) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[1-(1-methyl-5-propylpyrazol-3-yl)butan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[1-(1-methyl-5-propylpyrazol-3-yl)butan-2-ylamino]acetic acid
PubChem CID130305352
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-[1-(1-methyl-5-propylpyrazol-3-yl)butan-2-ylamino]acetic acid
SMILESCCCc1cc(CC(CC)NCC(=O)O)nn1C
InChIInChI=1S/C13H23N3O2/c1-4-6-12-8-11(15-16(12)3)7-10(5-2)14-9-13(17)18/h8,10,14H,4-7,9H2,1-3H3,(H,17,18)
InChIKeyCCUGRBAOUHYRAG-UHFFFAOYSA-N
XLogP1.37
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methyl-5-propylpyrazol-3-yl)butan-2-ylamino]acetic acid?
The IUPAC name of 2-[1-(1-methyl-5-propylpyrazol-3-yl)butan-2-ylamino]acetic acid (CID 130305352) is 2-[1-(1-methyl-5-propylpyrazol-3-yl)butan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[1-(1-methyl-5-propylpyrazol-3-yl)butan-2-ylamino]acetic acid?
The canonical SMILES for 2-[1-(1-methyl-5-propylpyrazol-3-yl)butan-2-ylamino]acetic acid is CCCc1cc(CC(CC)NCC(=O)O)nn1C.
What is the InChIKey of 2-[1-(1-methyl-5-propylpyrazol-3-yl)butan-2-ylamino]acetic acid?
The InChIKey is CCUGRBAOUHYRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-6-12-8-11(15-16(12)3)7-10(5-2)14-9-13(17)18/h8,10,14H,4-7,9H2,1-3H3,(H,17,18).
What are the key properties of 2-[1-(1-methyl-5-propylpyrazol-3-yl)butan-2-ylamino]acetic acid?
2-[1-(1-methyl-5-propylpyrazol-3-yl)butan-2-ylamino]acetic acid has a molecular weight of 253.35 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methyl-5-propylpyrazol-3-yl)butan-2-ylamino]acetic acid is sourced from PubChem (CID 130305352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).