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

C14H25N3O2 — CID 106487387

IUPAC2-(aminomethyl)-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butanoic acid
SMILESCCC(CC)n1ccc(CC(CC)(CN)C(=O)O)n1
InChIInChI=1S/C14H25N3O2/c1-4-12(5-2)17-8-7-11(16-17)9-14(6-3,10-15)13(18)19/h7-8,12H,4-6,9-10,15H2,1-3H3,(H,18,19)
InChIKeyZKHNXJXDZKYCOE-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.23
Rot. Bonds8

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

2-(aminomethyl)-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butanoic acid (PubChem CID 106487387) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butanoic acid
PubChem CID106487387
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-(aminomethyl)-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butanoic acid
SMILESCCC(CC)n1ccc(CC(CC)(CN)C(=O)O)n1
InChIInChI=1S/C14H25N3O2/c1-4-12(5-2)17-8-7-11(16-17)9-14(6-3,10-15)13(18)19/h7-8,12H,4-6,9-10,15H2,1-3H3,(H,18,19)
InChIKeyZKHNXJXDZKYCOE-UHFFFAOYSA-N
XLogP2.23
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine
CID 64779471
2-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine
CID 64779874
2-(aminomethyl)-2-[(1-cyclopentylpyrazol-3-yl)methyl]butanoic acid
CID 106487455
2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butanoic acid
CID 82869291
3-amino-3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one
CID 116592810
(2S)-2-amino-3-(1-pentan-3-ylpyrazol-3-yl)propanoic acid
CID 106702706
3-amino-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one
CID 116590478
2-N-ethyl-2-methyl-2-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]butane-1,2-diamine
CID 64800801
2,2,3-trimethyl-3-[(1-pentan-3-ylpyrazol-3-yl)methylamino]butanoic acid
CID 65265758
6,6,6-trifluoro-2-methyl-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-ol
CID 116535858
4-amino-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-one
CID 116609163
2-methyl-1-(1-pentan-3-ylpyrazol-3-yl)heptan-2-ol
CID 80557979

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butanoic acid?
The IUPAC name of 2-(aminomethyl)-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butanoic acid (CID 106487387) is 2-(aminomethyl)-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butanoic acid is CCC(CC)n1ccc(CC(CC)(CN)C(=O)O)n1.
What is the InChIKey of 2-(aminomethyl)-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butanoic acid?
The InChIKey is ZKHNXJXDZKYCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-12(5-2)17-8-7-11(16-17)9-14(6-3,10-15)13(18)19/h7-8,12H,4-6,9-10,15H2,1-3H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butanoic acid?
2-(aminomethyl)-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butanoic acid has a molecular weight of 267.37 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butanoic acid is sourced from PubChem (CID 106487387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).