3-[tert-butyl-[1-(1-ethylpyrazol-4-yl)ethyl]amino]propanoic acid

C14H25N3O2 — CID 65058620

IUPAC3-[tert-butyl-[1-(1-ethylpyrazol-4-yl)ethyl]amino]propanoic acid
SMILESCCn1cc(C(C)N(CCC(=O)O)C(C)(C)C)cn1
InChIInChI=1S/C14H25N3O2/c1-6-16-10-12(9-15-16)11(2)17(14(3,4)5)8-7-13(18)19/h9-11H,6-8H2,1-5H3,(H,18,19)
InChIKeyPOJFUUWTVKZKAR-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.54
Rot. Bonds6

About 3-[tert-butyl-[1-(1-ethylpyrazol-4-yl)ethyl]amino]propanoic acid

3-[tert-butyl-[1-(1-ethylpyrazol-4-yl)ethyl]amino]propanoic acid (PubChem CID 65058620) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[tert-butyl-[1-(1-ethylpyrazol-4-yl)ethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl-[1-(1-ethylpyrazol-4-yl)ethyl]amino]propanoic acid
PubChem CID65058620
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name3-[tert-butyl-[1-(1-ethylpyrazol-4-yl)ethyl]amino]propanoic acid
SMILESCCn1cc(C(C)N(CCC(=O)O)C(C)(C)C)cn1
InChIInChI=1S/C14H25N3O2/c1-6-16-10-12(9-15-16)11(2)17(14(3,4)5)8-7-13(18)19/h9-11H,6-8H2,1-5H3,(H,18,19)
InChIKeyPOJFUUWTVKZKAR-UHFFFAOYSA-N
XLogP2.54
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl-[1-(1-ethylpyrazol-4-yl)ethyl]amino]propanoic acid?
The IUPAC name of 3-[tert-butyl-[1-(1-ethylpyrazol-4-yl)ethyl]amino]propanoic acid (CID 65058620) is 3-[tert-butyl-[1-(1-ethylpyrazol-4-yl)ethyl]amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl-[1-(1-ethylpyrazol-4-yl)ethyl]amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl-[1-(1-ethylpyrazol-4-yl)ethyl]amino]propanoic acid is CCn1cc(C(C)N(CCC(=O)O)C(C)(C)C)cn1.
What is the InChIKey of 3-[tert-butyl-[1-(1-ethylpyrazol-4-yl)ethyl]amino]propanoic acid?
The InChIKey is POJFUUWTVKZKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-6-16-10-12(9-15-16)11(2)17(14(3,4)5)8-7-13(18)19/h9-11H,6-8H2,1-5H3,(H,18,19).
What are the key properties of 3-[tert-butyl-[1-(1-ethylpyrazol-4-yl)ethyl]amino]propanoic acid?
3-[tert-butyl-[1-(1-ethylpyrazol-4-yl)ethyl]amino]propanoic acid has a molecular weight of 267.37 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl-[1-(1-ethylpyrazol-4-yl)ethyl]amino]propanoic acid is sourced from PubChem (CID 65058620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).