3-[cyclopropyl-[1-(1-ethylpyrazol-4-yl)ethyl]amino]propanoic acid

C13H21N3O2 — CID 65055182

IUPAC3-[cyclopropyl-[1-(1-ethylpyrazol-4-yl)ethyl]amino]propanoic acid
SMILESCCn1cc(C(C)N(CCC(=O)O)C2CC2)cn1
InChIInChI=1S/C13H21N3O2/c1-3-15-9-11(8-14-15)10(2)16(12-4-5-12)7-6-13(17)18/h8-10,12H,3-7H2,1-2H3,(H,17,18)
InChIKeyCGZIBCWGBDCESQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.90
Rot. Bonds7

About 3-[cyclopropyl-[1-(1-ethylpyrazol-4-yl)ethyl]amino]propanoic acid

3-[cyclopropyl-[1-(1-ethylpyrazol-4-yl)ethyl]amino]propanoic acid (PubChem CID 65055182) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[cyclopropyl-[1-(1-ethylpyrazol-4-yl)ethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[1-(1-ethylpyrazol-4-yl)ethyl]amino]propanoic acid
PubChem CID65055182
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-[cyclopropyl-[1-(1-ethylpyrazol-4-yl)ethyl]amino]propanoic acid
SMILESCCn1cc(C(C)N(CCC(=O)O)C2CC2)cn1
InChIInChI=1S/C13H21N3O2/c1-3-15-9-11(8-14-15)10(2)16(12-4-5-12)7-6-13(17)18/h8-10,12H,3-7H2,1-2H3,(H,17,18)
InChIKeyCGZIBCWGBDCESQ-UHFFFAOYSA-N
XLogP1.90
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[1-(1-ethylpyrazol-4-yl)ethyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[1-(1-ethylpyrazol-4-yl)ethyl]amino]propanoic acid (CID 65055182) is 3-[cyclopropyl-[1-(1-ethylpyrazol-4-yl)ethyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[1-(1-ethylpyrazol-4-yl)ethyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[1-(1-ethylpyrazol-4-yl)ethyl]amino]propanoic acid is CCn1cc(C(C)N(CCC(=O)O)C2CC2)cn1.
What is the InChIKey of 3-[cyclopropyl-[1-(1-ethylpyrazol-4-yl)ethyl]amino]propanoic acid?
The InChIKey is CGZIBCWGBDCESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-15-9-11(8-14-15)10(2)16(12-4-5-12)7-6-13(17)18/h8-10,12H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 3-[cyclopropyl-[1-(1-ethylpyrazol-4-yl)ethyl]amino]propanoic acid?
3-[cyclopropyl-[1-(1-ethylpyrazol-4-yl)ethyl]amino]propanoic acid has a molecular weight of 251.33 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[1-(1-ethylpyrazol-4-yl)ethyl]amino]propanoic acid is sourced from PubChem (CID 65055182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).