4-amino-4-[2-(2-methylpropyl)pyrazol-3-yl]butanoic acid

C11H19N3O2 — CID 84790328

IUPAC4-amino-4-[2-(2-methylpropyl)pyrazol-3-yl]butanoic acid
SMILESCC(C)Cn1nccc1C(N)CCC(=O)O
InChIInChI=1S/C11H19N3O2/c1-8(2)7-14-10(5-6-13-14)9(12)3-4-11(15)16/h5-6,8-9H,3-4,7,12H2,1-2H3,(H,15,16)
InChIKeyUZAWVENDQGDYIZ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.40
Rot. Bonds6

About 4-amino-4-[2-(2-methylpropyl)pyrazol-3-yl]butanoic acid

4-amino-4-[2-(2-methylpropyl)pyrazol-3-yl]butanoic acid (PubChem CID 84790328) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-amino-4-[2-(2-methylpropyl)pyrazol-3-yl]butanoic acid.

Molecular Properties

Compound Name4-amino-4-[2-(2-methylpropyl)pyrazol-3-yl]butanoic acid
PubChem CID84790328
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-amino-4-[2-(2-methylpropyl)pyrazol-3-yl]butanoic acid
SMILESCC(C)Cn1nccc1C(N)CCC(=O)O
InChIInChI=1S/C11H19N3O2/c1-8(2)7-14-10(5-6-13-14)9(12)3-4-11(15)16/h5-6,8-9H,3-4,7,12H2,1-2H3,(H,15,16)
InChIKeyUZAWVENDQGDYIZ-UHFFFAOYSA-N
XLogP1.40
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

rac-(1R,2R)-2-(1-methyl-1H-pyrazol-5-yl)cyclopropane-1-carboxylic acid
CID 124602659
2-(1-methyl-1H-pyrazol-3-yl)cyclopropane-1-carboxylic acid
CID 129321797
rac-(2R,3R)-1-ethyl-2-(1-methyl-1H-pyrazol-5-yl)-6-oxopiperidine-3-carboxylic acid
CID 122155896
rac-(1R,2R)-2-[1-(propan-2-yl)-1H-pyrazol-5-yl]cyclopropane-1-carboxylic acid
CID 124745805
Ethyl 4-(2-methylpyrazol-3-yl)butanoate
CID 102523556
(2S)-4-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentanoic acid
CID 124510723
2-(1-Methylpyrazol-3-yl)cyclopropane-1-carboxylic acid
CID 126855068
methyl (3R)-4-[[(2S)-1-aminopropan-2-yl]-methylamino]-3-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-4-oxobutanoate
CID 167414666
2-(1-methyl-1H-pyrazol-5-yl)cyclopropane-1-carboxylic acid
CID 91819591
2-Amino-3,3,3-trifluoro-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]propanoic acid
CID 64776980
2-Amino-2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3,3-trifluoropropanoic acid
CID 64777170
3-[2-(2-Fluoro-2-methylpropyl)pyrazol-3-yl]propanoic acid
CID 84680330

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-[2-(2-methylpropyl)pyrazol-3-yl]butanoic acid?
The IUPAC name of 4-amino-4-[2-(2-methylpropyl)pyrazol-3-yl]butanoic acid (CID 84790328) is 4-amino-4-[2-(2-methylpropyl)pyrazol-3-yl]butanoic acid.
What is the SMILES notation for 4-amino-4-[2-(2-methylpropyl)pyrazol-3-yl]butanoic acid?
The canonical SMILES for 4-amino-4-[2-(2-methylpropyl)pyrazol-3-yl]butanoic acid is CC(C)Cn1nccc1C(N)CCC(=O)O.
What is the InChIKey of 4-amino-4-[2-(2-methylpropyl)pyrazol-3-yl]butanoic acid?
The InChIKey is UZAWVENDQGDYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(2)7-14-10(5-6-13-14)9(12)3-4-11(15)16/h5-6,8-9H,3-4,7,12H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-4-[2-(2-methylpropyl)pyrazol-3-yl]butanoic acid?
4-amino-4-[2-(2-methylpropyl)pyrazol-3-yl]butanoic acid has a molecular weight of 225.29 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-[2-(2-methylpropyl)pyrazol-3-yl]butanoic acid is sourced from PubChem (CID 84790328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).