2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-methylpropylamino)acetic acid

C14H25N3O2 — CID 83088868

IUPAC2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-methylpropylamino)acetic acid
SMILESCC(C)CNC(C(=O)O)c1cn(C)nc1C(C)(C)C
InChIInChI=1S/C14H25N3O2/c1-9(2)7-15-11(13(18)19)10-8-17(6)16-12(10)14(3,4)5/h8-9,11,15H,7H2,1-6H3,(H,18,19)
InChIKeyCTROYDVJWZHORR-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.09
Rot. Bonds5

About 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-methylpropylamino)acetic acid

2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-methylpropylamino)acetic acid (PubChem CID 83088868) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-methylpropylamino)acetic acid.

Molecular Properties

Compound Name2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-methylpropylamino)acetic acid
PubChem CID83088868
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-methylpropylamino)acetic acid
SMILESCC(C)CNC(C(=O)O)c1cn(C)nc1C(C)(C)C
InChIInChI=1S/C14H25N3O2/c1-9(2)7-15-11(13(18)19)10-8-17(6)16-12(10)14(3,4)5/h8-9,11,15H,7H2,1-6H3,(H,18,19)
InChIKeyCTROYDVJWZHORR-UHFFFAOYSA-N
XLogP2.09
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-methylpropylamino)acetic acid?
The IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-methylpropylamino)acetic acid (CID 83088868) is 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-methylpropylamino)acetic acid.
What is the SMILES notation for 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-methylpropylamino)acetic acid?
The canonical SMILES for 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-methylpropylamino)acetic acid is CC(C)CNC(C(=O)O)c1cn(C)nc1C(C)(C)C.
What is the InChIKey of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-methylpropylamino)acetic acid?
The InChIKey is CTROYDVJWZHORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-9(2)7-15-11(13(18)19)10-8-17(6)16-12(10)14(3,4)5/h8-9,11,15H,7H2,1-6H3,(H,18,19).
What are the key properties of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-methylpropylamino)acetic acid?
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-methylpropylamino)acetic acid has a molecular weight of 267.37 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-methylpropylamino)acetic acid is sourced from PubChem (CID 83088868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).