3-(5-amino-1-cyclopentylpyrazol-4-yl)propanoic acid

C11H17N3O2 — CID 115069374

IUPAC3-(5-amino-1-cyclopentylpyrazol-4-yl)propanoic acid
SMILESNc1c(CCC(=O)O)cnn1C1CCCC1
InChIInChI=1S/C11H17N3O2/c12-11-8(5-6-10(15)16)7-13-14(11)9-3-1-2-4-9/h7,9H,1-6,12H2,(H,15,16)
InChIKeyXXDFCDUCVFDVOX-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.60
Rot. Bonds4

About 3-(5-amino-1-cyclopentylpyrazol-4-yl)propanoic acid

3-(5-amino-1-cyclopentylpyrazol-4-yl)propanoic acid (PubChem CID 115069374) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-(5-amino-1-cyclopentylpyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-amino-1-cyclopentylpyrazol-4-yl)propanoic acid
PubChem CID115069374
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-(5-amino-1-cyclopentylpyrazol-4-yl)propanoic acid
SMILESNc1c(CCC(=O)O)cnn1C1CCCC1
InChIInChI=1S/C11H17N3O2/c12-11-8(5-6-10(15)16)7-13-14(11)9-3-1-2-4-9/h7,9H,1-6,12H2,(H,15,16)
InChIKeyXXDFCDUCVFDVOX-UHFFFAOYSA-N
XLogP1.60
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1-cyclopentylpyrazol-4-yl)propanoic acid?
The IUPAC name of 3-(5-amino-1-cyclopentylpyrazol-4-yl)propanoic acid (CID 115069374) is 3-(5-amino-1-cyclopentylpyrazol-4-yl)propanoic acid.
What is the SMILES notation for 3-(5-amino-1-cyclopentylpyrazol-4-yl)propanoic acid?
The canonical SMILES for 3-(5-amino-1-cyclopentylpyrazol-4-yl)propanoic acid is Nc1c(CCC(=O)O)cnn1C1CCCC1.
What is the InChIKey of 3-(5-amino-1-cyclopentylpyrazol-4-yl)propanoic acid?
The InChIKey is XXDFCDUCVFDVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c12-11-8(5-6-10(15)16)7-13-14(11)9-3-1-2-4-9/h7,9H,1-6,12H2,(H,15,16).
What are the key properties of 3-(5-amino-1-cyclopentylpyrazol-4-yl)propanoic acid?
3-(5-amino-1-cyclopentylpyrazol-4-yl)propanoic acid has a molecular weight of 223.28 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1-cyclopentylpyrazol-4-yl)propanoic acid is sourced from PubChem (CID 115069374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).