2-amino-3-(3-methylpyrazol-1-yl)butanoic acid

C8H13N3O2 — CID 165475259

IUPAC2-amino-3-(3-methylpyrazol-1-yl)butanoic acid
SMILESCc1ccn(C(C)C(N)C(=O)O)n1
InChIInChI=1S/C8H13N3O2/c1-5-3-4-11(10-5)6(2)7(9)8(12)13/h3-4,6-7H,9H2,1-2H3,(H,12,13)
InChIKeyVKBKAJLCRGGXTL-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.16
Rot. Bonds3

About 2-amino-3-(3-methylpyrazol-1-yl)butanoic acid

2-amino-3-(3-methylpyrazol-1-yl)butanoic acid (PubChem CID 165475259) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-amino-3-(3-methylpyrazol-1-yl)butanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-methylpyrazol-1-yl)butanoic acid
PubChem CID165475259
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-amino-3-(3-methylpyrazol-1-yl)butanoic acid
SMILESCc1ccn(C(C)C(N)C(=O)O)n1
InChIInChI=1S/C8H13N3O2/c1-5-3-4-11(10-5)6(2)7(9)8(12)13/h3-4,6-7H,9H2,1-2H3,(H,12,13)
InChIKeyVKBKAJLCRGGXTL-UHFFFAOYSA-N
XLogP0.16
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-Methyl-1H-pyrazol-1-yl)propanoic acid
CID 814994
alpha-amino-1H-pyrazole-1-propanoic acid
CID 119630
2-(5-methyl-1H-pyrazol-1-yl)propanoic acid
CID 6485706
2-methyl-3-(3-methyl-1H-pyrazol-1-yl)propanoic acid
CID 3137773
beta-Pyrazol-1-ylalanine
CID 151491
3-(3-methyl-1H-pyrazol-1-yl)propanoic acid
CID 776840
(5-methyl-1H-pyrazol-1-yl)acetic acid
CID 7018400
methyl 3-(3-methyl-1H-pyrazol-1-yl)propanoate
CID 786247
2-(3-methyl-1H-pyrazol-1-yl)acetic acid
CID 5012329
1-(5-methyl-1H-pyrazol-1-yl)cyclopropane-1-carboxylic acid
CID 89853669
1-(3-methyl-1H-pyrazol-1-yl)cyclopropane-1-carboxylic acid
CID 89853986
3-[3-(Methylcarbamoyl)pyrazol-1-yl]butanoic acid
CID 64777796

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-methylpyrazol-1-yl)butanoic acid?
The IUPAC name of 2-amino-3-(3-methylpyrazol-1-yl)butanoic acid (CID 165475259) is 2-amino-3-(3-methylpyrazol-1-yl)butanoic acid.
What is the SMILES notation for 2-amino-3-(3-methylpyrazol-1-yl)butanoic acid?
The canonical SMILES for 2-amino-3-(3-methylpyrazol-1-yl)butanoic acid is Cc1ccn(C(C)C(N)C(=O)O)n1.
What is the InChIKey of 2-amino-3-(3-methylpyrazol-1-yl)butanoic acid?
The InChIKey is VKBKAJLCRGGXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5-3-4-11(10-5)6(2)7(9)8(12)13/h3-4,6-7H,9H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-3-(3-methylpyrazol-1-yl)butanoic acid?
2-amino-3-(3-methylpyrazol-1-yl)butanoic acid has a molecular weight of 183.21 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-methylpyrazol-1-yl)butanoic acid is sourced from PubChem (CID 165475259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).