2-[methyl(3-pyrazol-1-ylpropyl)amino]butanoic acid

C11H19N3O2 — CID 122566091

IUPAC2-[methyl(3-pyrazol-1-ylpropyl)amino]butanoic acid
SMILESCCC(C(=O)O)N(C)CCCn1cccn1
InChIInChI=1S/C11H19N3O2/c1-3-10(11(15)16)13(2)7-5-9-14-8-4-6-12-14/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,15,16)
InChIKeyNTMCVPYLYQKUJV-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.07
Rot. Bonds7

About 2-[methyl(3-pyrazol-1-ylpropyl)amino]butanoic acid

2-[methyl(3-pyrazol-1-ylpropyl)amino]butanoic acid (PubChem CID 122566091) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[methyl(3-pyrazol-1-ylpropyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[methyl(3-pyrazol-1-ylpropyl)amino]butanoic acid
PubChem CID122566091
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-[methyl(3-pyrazol-1-ylpropyl)amino]butanoic acid
SMILESCCC(C(=O)O)N(C)CCCn1cccn1
InChIInChI=1S/C11H19N3O2/c1-3-10(11(15)16)13(2)7-5-9-14-8-4-6-12-14/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,15,16)
InChIKeyNTMCVPYLYQKUJV-UHFFFAOYSA-N
XLogP1.07
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

alpha-amino-1H-pyrazole-1-propanoic acid
CID 119630
1H-Pyrazol-1-ylacetic acid
CID 3717462
Pyrazole-1-butyric acid
CID 3066548
beta-Pyrazol-1-ylalanine
CID 151491
3-(1H-pyrazol-1-yl)propanoic acid
CID 1092972
3-(1H-Pyrazol-1-yl)butanoic acid
CID 3159310
2-(1H-Pyrazol-1-yl)propanoic acid
CID 16793133
2-methyl-3-(1H-pyrazol-1-yl)propanoic acid
CID 6483897
alpha,alpha-Dimethyl-1H-pyrazole-1-acetic acid
CID 2763345
2-(4-Methyl-Pyrazol-1-Yl)-Propionic Acid
CID 17024576
3-methyl-2-(4-methyl-1H-pyrazol-1-yl)butanoic acid
CID 25248695
2-(4-iodo-1H-pyrazol-1-yl)propanoic acid
CID 46318299

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(3-pyrazol-1-ylpropyl)amino]butanoic acid?
The IUPAC name of 2-[methyl(3-pyrazol-1-ylpropyl)amino]butanoic acid (CID 122566091) is 2-[methyl(3-pyrazol-1-ylpropyl)amino]butanoic acid.
What is the SMILES notation for 2-[methyl(3-pyrazol-1-ylpropyl)amino]butanoic acid?
The canonical SMILES for 2-[methyl(3-pyrazol-1-ylpropyl)amino]butanoic acid is CCC(C(=O)O)N(C)CCCn1cccn1.
What is the InChIKey of 2-[methyl(3-pyrazol-1-ylpropyl)amino]butanoic acid?
The InChIKey is NTMCVPYLYQKUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-10(11(15)16)13(2)7-5-9-14-8-4-6-12-14/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,15,16).
What are the key properties of 2-[methyl(3-pyrazol-1-ylpropyl)amino]butanoic acid?
2-[methyl(3-pyrazol-1-ylpropyl)amino]butanoic acid has a molecular weight of 225.29 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(3-pyrazol-1-ylpropyl)amino]butanoic acid is sourced from PubChem (CID 122566091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).