3-amino-2-(2,5-dimethylpyrazol-3-yl)propanoic acid

C8H13N3O2 — CID 82601652

IUPAC3-amino-2-(2,5-dimethylpyrazol-3-yl)propanoic acid
SMILESCc1cc(C(CN)C(=O)O)n(C)n1
InChIInChI=1S/C8H13N3O2/c1-5-3-7(11(2)10-5)6(4-9)8(12)13/h3,6H,4,9H2,1-2H3,(H,12,13)
InChIKeyCVHNPAFDDPULPH-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.14
Rot. Bonds3

About 3-amino-2-(2,5-dimethylpyrazol-3-yl)propanoic acid

3-amino-2-(2,5-dimethylpyrazol-3-yl)propanoic acid (PubChem CID 82601652) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-amino-2-(2,5-dimethylpyrazol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(2,5-dimethylpyrazol-3-yl)propanoic acid
PubChem CID82601652
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name3-amino-2-(2,5-dimethylpyrazol-3-yl)propanoic acid
SMILESCc1cc(C(CN)C(=O)O)n(C)n1
InChIInChI=1S/C8H13N3O2/c1-5-3-7(11(2)10-5)6(4-9)8(12)13/h3,6H,4,9H2,1-2H3,(H,12,13)
InChIKeyCVHNPAFDDPULPH-UHFFFAOYSA-N
XLogP-0.14
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 ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylpyrazol-3-yl)butan-1-amine
CID 83827000
3-amino-1-(2,5-dimethylpyrazol-3-yl)propan-1-ol
CID 82598009
4-[2-amino-1-(2,5-dimethylpyrazol-3-yl)ethyl]phenol
CID 83987249
3-amino-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol
CID 82598008
6-amino-2-[(2,5-dimethylpyrazol-3-yl)methyl]hexanoic acid
CID 104681535
1-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropan-1-ol
CID 105096744
5-heptan-4-yl-1,3-dimethylpyrazole
CID 143472478
2-(2,5-dimethylpyrazol-3-yl)-2-(3-phenoxyphenyl)ethanamine
CID 83986622
N-(1-aminopropan-2-yl)-N,2,5-trimethylpyrazole-3-carboxamide;hydrochloride
CID 119583908
(2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]propanoic acid
CID 83194398
1-(2,5-dimethylpyrazol-3-yl)-5-methylhexan-1-ol
CID 105122769
1-(2,5-dimethylpyrazol-3-yl)-3-ethylpentan-1-ol
CID 105122554

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,5-dimethylpyrazol-3-yl)propanoic acid?
The IUPAC name of 3-amino-2-(2,5-dimethylpyrazol-3-yl)propanoic acid (CID 82601652) is 3-amino-2-(2,5-dimethylpyrazol-3-yl)propanoic acid.
What is the SMILES notation for 3-amino-2-(2,5-dimethylpyrazol-3-yl)propanoic acid?
The canonical SMILES for 3-amino-2-(2,5-dimethylpyrazol-3-yl)propanoic acid is Cc1cc(C(CN)C(=O)O)n(C)n1.
What is the InChIKey of 3-amino-2-(2,5-dimethylpyrazol-3-yl)propanoic acid?
The InChIKey is CVHNPAFDDPULPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5-3-7(11(2)10-5)6(4-9)8(12)13/h3,6H,4,9H2,1-2H3,(H,12,13).
What are the key properties of 3-amino-2-(2,5-dimethylpyrazol-3-yl)propanoic acid?
3-amino-2-(2,5-dimethylpyrazol-3-yl)propanoic acid has a molecular weight of 183.21 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,5-dimethylpyrazol-3-yl)propanoic acid is sourced from PubChem (CID 82601652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).