2-[ethyl(2-pyrazol-1-ylethyl)amino]-2-methylpropanoic acid

C11H19N3O2 — CID 62822178

IUPAC2-[ethyl(2-pyrazol-1-ylethyl)amino]-2-methylpropanoic acid
SMILESCCN(CCn1cccn1)C(C)(C)C(=O)O
InChIInChI=1S/C11H19N3O2/c1-4-13(11(2,3)10(15)16)8-9-14-7-5-6-12-14/h5-7H,4,8-9H2,1-3H3,(H,15,16)
InChIKeyARFJUBGHKKOQON-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.07
Rot. Bonds6

About 2-[ethyl(2-pyrazol-1-ylethyl)amino]-2-methylpropanoic acid

2-[ethyl(2-pyrazol-1-ylethyl)amino]-2-methylpropanoic acid (PubChem CID 62822178) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[ethyl(2-pyrazol-1-ylethyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl(2-pyrazol-1-ylethyl)amino]-2-methylpropanoic acid
PubChem CID62822178
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-[ethyl(2-pyrazol-1-ylethyl)amino]-2-methylpropanoic acid
SMILESCCN(CCn1cccn1)C(C)(C)C(=O)O
InChIInChI=1S/C11H19N3O2/c1-4-13(11(2,3)10(15)16)8-9-14-7-5-6-12-14/h5-7H,4,8-9H2,1-3H3,(H,15,16)
InChIKeyARFJUBGHKKOQON-UHFFFAOYSA-N
XLogP1.07
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[methyl(3-pyrazol-1-ylpropanoyl)amino]propanoic acid
CID 62817737
2-methyl-2-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]propanoic acid
CID 62821667
2-methyl-2-(pyrazol-1-ylmethylsulfanyl)propanoic acid
CID 107421591
2-methyl-2-(2-pyrazol-1-ylethylsulfonyl)propanoic acid
CID 81229830
2-[2-aminoethyl(ethyl)amino]-2-methylpropanoic acid
CID 63652155
2-pyrazol-1-yl-N,N-bis(2-pyrazol-1-ylethyl)ethanamine
CID 5255415
2-[ethyl-(3-hydroxy-3-methylbutyl)amino]-2-methylpropanoic acid
CID 79355288
2-[ethyl(1-pyrazol-1-ylpropan-2-ylcarbamoyl)amino]-2-methylpropanoic acid
CID 62821496
2-fluoro-2-methyl-3-pyrazol-1-ylpropanoic acid
CID 84654305
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-pyrazol-1-ylpropanamide
CID 79386729
2-tert-butyl-N-methyl-N-(2-pyrazol-1-ylethyl)tetrazole-5-carboxamide
CID 146107580
3-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]benzoic acid
CID 136550505

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-pyrazol-1-ylethyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl(2-pyrazol-1-ylethyl)amino]-2-methylpropanoic acid (CID 62822178) is 2-[ethyl(2-pyrazol-1-ylethyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl(2-pyrazol-1-ylethyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl(2-pyrazol-1-ylethyl)amino]-2-methylpropanoic acid is CCN(CCn1cccn1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl(2-pyrazol-1-ylethyl)amino]-2-methylpropanoic acid?
The InChIKey is ARFJUBGHKKOQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-13(11(2,3)10(15)16)8-9-14-7-5-6-12-14/h5-7H,4,8-9H2,1-3H3,(H,15,16).
What are the key properties of 2-[ethyl(2-pyrazol-1-ylethyl)amino]-2-methylpropanoic acid?
2-[ethyl(2-pyrazol-1-ylethyl)amino]-2-methylpropanoic acid has a molecular weight of 225.29 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-pyrazol-1-ylethyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62822178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).