2-(aminomethyl)-2-[(1-cyclopentylpyrazol-3-yl)methyl]butanoic acid

C14H23N3O2 — CID 106487455

IUPAC2-(aminomethyl)-2-[(1-cyclopentylpyrazol-3-yl)methyl]butanoic acid
SMILESCCC(CN)(Cc1ccn(C2CCCC2)n1)C(=O)O
InChIInChI=1S/C14H23N3O2/c1-2-14(10-15,13(18)19)9-11-7-8-17(16-11)12-5-3-4-6-12/h7-8,12H,2-6,9-10,15H2,1H3,(H,18,19)
InChIKeyLQXIMECQIUYAEH-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.98
Rot. Bonds6

About 2-(aminomethyl)-2-[(1-cyclopentylpyrazol-3-yl)methyl]butanoic acid

2-(aminomethyl)-2-[(1-cyclopentylpyrazol-3-yl)methyl]butanoic acid (PubChem CID 106487455) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[(1-cyclopentylpyrazol-3-yl)methyl]butanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-[(1-cyclopentylpyrazol-3-yl)methyl]butanoic acid
PubChem CID106487455
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-(aminomethyl)-2-[(1-cyclopentylpyrazol-3-yl)methyl]butanoic acid
SMILESCCC(CN)(Cc1ccn(C2CCCC2)n1)C(=O)O
InChIInChI=1S/C14H23N3O2/c1-2-14(10-15,13(18)19)9-11-7-8-17(16-11)12-5-3-4-6-12/h7-8,12H,2-6,9-10,15H2,1H3,(H,18,19)
InChIKeyLQXIMECQIUYAEH-UHFFFAOYSA-N
XLogP1.98
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-[(1-cyclopentylpyrazol-3-yl)methyl]butanoic acid?
The IUPAC name of 2-(aminomethyl)-2-[(1-cyclopentylpyrazol-3-yl)methyl]butanoic acid (CID 106487455) is 2-(aminomethyl)-2-[(1-cyclopentylpyrazol-3-yl)methyl]butanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-[(1-cyclopentylpyrazol-3-yl)methyl]butanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-[(1-cyclopentylpyrazol-3-yl)methyl]butanoic acid is CCC(CN)(Cc1ccn(C2CCCC2)n1)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-2-[(1-cyclopentylpyrazol-3-yl)methyl]butanoic acid?
The InChIKey is LQXIMECQIUYAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-14(10-15,13(18)19)9-11-7-8-17(16-11)12-5-3-4-6-12/h7-8,12H,2-6,9-10,15H2,1H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-2-[(1-cyclopentylpyrazol-3-yl)methyl]butanoic acid?
2-(aminomethyl)-2-[(1-cyclopentylpyrazol-3-yl)methyl]butanoic acid has a molecular weight of 265.36 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-[(1-cyclopentylpyrazol-3-yl)methyl]butanoic acid is sourced from PubChem (CID 106487455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).