2-amino-3-(4-methyl-1H-pyrazol-5-yl)propanoic acid

C7H11N3O2 — CID 82412883

IUPAC2-amino-3-(4-methyl-1H-pyrazol-5-yl)propanoic acid
SMILESCc1cn[nH]c1CC(N)C(=O)O
InChIInChI=1S/C7H11N3O2/c1-4-3-9-10-6(4)2-5(8)7(11)12/h3,5H,2,8H2,1H3,(H,9,10)(H,11,12)
InChIKeyDBJPQCFNZIATDS-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.33
Rot. Bonds3

About 2-amino-3-(4-methyl-1H-pyrazol-5-yl)propanoic acid

2-amino-3-(4-methyl-1H-pyrazol-5-yl)propanoic acid (PubChem CID 82412883) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-amino-3-(4-methyl-1H-pyrazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(4-methyl-1H-pyrazol-5-yl)propanoic acid
PubChem CID82412883
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-amino-3-(4-methyl-1H-pyrazol-5-yl)propanoic acid
SMILESCc1cn[nH]c1CC(N)C(=O)O
InChIInChI=1S/C7H11N3O2/c1-4-3-9-10-6(4)2-5(8)7(11)12/h3,5H,2,8H2,1H3,(H,9,10)(H,11,12)
InChIKeyDBJPQCFNZIATDS-UHFFFAOYSA-N
XLogP-0.33
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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(S)-alpha-Amino-1H-pyrazole-3-propanoic acid
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2-(3-methyl-1H-pyrazol-4-yl)acetic acid
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CID 44428731
1H-Pyrazole-3-propanoic acid
CID 22148958
3-(1H-pyrazol-5-yl)propanoic acid hydrochloride
CID 132372499
2-amino-3-[3-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid
CID 82662243
(2S)-2-amino-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid
CID 96886668
4,4-difluoro-2-(5-methyl-1H-pyrazol-4-yl)butanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-methyl-1H-pyrazol-5-yl)propanoic acid?
The IUPAC name of 2-amino-3-(4-methyl-1H-pyrazol-5-yl)propanoic acid (CID 82412883) is 2-amino-3-(4-methyl-1H-pyrazol-5-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(4-methyl-1H-pyrazol-5-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(4-methyl-1H-pyrazol-5-yl)propanoic acid is Cc1cn[nH]c1CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(4-methyl-1H-pyrazol-5-yl)propanoic acid?
The InChIKey is DBJPQCFNZIATDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-4-3-9-10-6(4)2-5(8)7(11)12/h3,5H,2,8H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-amino-3-(4-methyl-1H-pyrazol-5-yl)propanoic acid?
2-amino-3-(4-methyl-1H-pyrazol-5-yl)propanoic acid has a molecular weight of 169.18 g/mol, XLogP of -0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-methyl-1H-pyrazol-5-yl)propanoic acid is sourced from PubChem (CID 82412883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).