2-(aminomethyl)-2-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpentanoic acid

C16H27N3O2 — CID 106489091

IUPAC2-(aminomethyl)-2-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpentanoic acid
SMILESCC(C)CC(CN)(Cc1ccn(C2CCCC2)n1)C(=O)O
InChIInChI=1S/C16H27N3O2/c1-12(2)9-16(11-17,15(20)21)10-13-7-8-19(18-13)14-5-3-4-6-14/h7-8,12,14H,3-6,9-11,17H2,1-2H3,(H,20,21)
InChIKeyPUQLILMDYHDYAF-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.62
Rot. Bonds7

About 2-(aminomethyl)-2-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpentanoic acid

2-(aminomethyl)-2-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpentanoic acid (PubChem CID 106489091) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpentanoic acid
PubChem CID106489091
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-(aminomethyl)-2-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpentanoic acid
SMILESCC(C)CC(CN)(Cc1ccn(C2CCCC2)n1)C(=O)O
InChIInChI=1S/C16H27N3O2/c1-12(2)9-16(11-17,15(20)21)10-13-7-8-19(18-13)14-5-3-4-6-14/h7-8,12,14H,3-6,9-11,17H2,1-2H3,(H,20,21)
InChIKeyPUQLILMDYHDYAF-UHFFFAOYSA-N
XLogP2.62
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.62
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]-4-methylpentanoic acid?
The IUPAC name of 2-(aminomethyl)-2-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpentanoic acid (CID 106489091) is 2-(aminomethyl)-2-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpentanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpentanoic acid is CC(C)CC(CN)(Cc1ccn(C2CCCC2)n1)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-2-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpentanoic acid?
The InChIKey is PUQLILMDYHDYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-12(2)9-16(11-17,15(20)21)10-13-7-8-19(18-13)14-5-3-4-6-14/h7-8,12,14H,3-6,9-11,17H2,1-2H3,(H,20,21).
What are the key properties of 2-(aminomethyl)-2-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpentanoic acid?
2-(aminomethyl)-2-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpentanoic acid has a molecular weight of 293.41 g/mol, XLogP of 2.62, 7 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]-4-methylpentanoic acid is sourced from PubChem (CID 106489091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).