3-[cyclopropyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]propanoic acid

C15H25N3O2 — CID 64783639

IUPAC3-[cyclopropyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]propanoic acid
SMILESCCC(CC)n1ccc(CN(CCC(=O)O)C2CC2)n1
InChIInChI=1S/C15H25N3O2/c1-3-13(4-2)18-10-7-12(16-18)11-17(14-5-6-14)9-8-15(19)20/h7,10,13-14H,3-6,8-9,11H2,1-2H3,(H,19,20)
InChIKeySGZNVXOZXTUPCE-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.68
Rot. Bonds9

About 3-[cyclopropyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]propanoic acid

3-[cyclopropyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]propanoic acid (PubChem CID 64783639) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-[cyclopropyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]propanoic acid
PubChem CID64783639
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-[cyclopropyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]propanoic acid
SMILESCCC(CC)n1ccc(CN(CCC(=O)O)C2CC2)n1
InChIInChI=1S/C15H25N3O2/c1-3-13(4-2)18-10-7-12(16-18)11-17(14-5-6-14)9-8-15(19)20/h7,10,13-14H,3-6,8-9,11H2,1-2H3,(H,19,20)
InChIKeySGZNVXOZXTUPCE-UHFFFAOYSA-N
XLogP2.68
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[tert-butyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]propanoic acid
CID 64784799
2-[cyclopropyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]acetic acid
CID 64771325
3-[cyclopropyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]propanethioamide
CID 64772003
3-[cyclopropyl-[(6-methyl-2-pyridinyl)methyl]amino]propanoic acid
CID 79260864
3-[cyclopropyl-[(2-ethylphenyl)methyl]amino]propanoic acid
CID 65054443
3-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
CID 60840037
3-[ethyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]-2-methylpropanoic acid
CID 64784229
2-[cyclopentyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]ethanol
CID 64773013
4-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 65395111
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-(3-chloropropyl)cyclobutanamine
CID 102860421
3-[(4-aminocyclohexyl)-ethylamino]propanoic acid
CID 79115702
3-[cyclopropyl-[(1-ethylpyrazol-4-yl)methyl]amino]propanoic acid
CID 55041385

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]propanoic acid (CID 64783639) is 3-[cyclopropyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]propanoic acid is CCC(CC)n1ccc(CN(CCC(=O)O)C2CC2)n1.
What is the InChIKey of 3-[cyclopropyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]propanoic acid?
The InChIKey is SGZNVXOZXTUPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-13(4-2)18-10-7-12(16-18)11-17(14-5-6-14)9-8-15(19)20/h7,10,13-14H,3-6,8-9,11H2,1-2H3,(H,19,20).
What are the key properties of 3-[cyclopropyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]propanoic acid?
3-[cyclopropyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]propanoic acid has a molecular weight of 279.38 g/mol, XLogP of 2.68, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]propanoic acid is sourced from PubChem (CID 64783639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).