4-amino-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid

C10H15N3O2 — CID 83858880

IUPAC4-amino-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid
SMILESNCCC(C(=O)O)c1n[nH]c2c1CCC2
InChIInChI=1S/C10H15N3O2/c11-5-4-7(10(14)15)9-6-2-1-3-8(6)12-13-9/h7H,1-5,11H2,(H,12,13)(H,14,15)
InChIKeyVGFQEZLEKFNROV-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.42
Rot. Bonds4

About 4-amino-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid

4-amino-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid (PubChem CID 83858880) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-amino-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid.

Molecular Properties

Compound Name4-amino-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid
PubChem CID83858880
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-amino-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid
SMILESNCCC(C(=O)O)c1n[nH]c2c1CCC2
InChIInChI=1S/C10H15N3O2/c11-5-4-7(10(14)15)9-6-2-1-3-8(6)12-13-9/h7H,1-5,11H2,(H,12,13)(H,14,15)
InChIKeyVGFQEZLEKFNROV-UHFFFAOYSA-N
XLogP0.42
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid?
The IUPAC name of 4-amino-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid (CID 83858880) is 4-amino-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid.
What is the SMILES notation for 4-amino-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid?
The canonical SMILES for 4-amino-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid is NCCC(C(=O)O)c1n[nH]c2c1CCC2.
What is the InChIKey of 4-amino-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid?
The InChIKey is VGFQEZLEKFNROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c11-5-4-7(10(14)15)9-6-2-1-3-8(6)12-13-9/h7H,1-5,11H2,(H,12,13)(H,14,15).
What are the key properties of 4-amino-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid?
4-amino-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid has a molecular weight of 209.25 g/mol, XLogP of 0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid is sourced from PubChem (CID 83858880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).