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

C7H11N3O2 — CID 62961134

IUPAC2-amino-3-(5-methyl-1H-pyrazol-4-yl)propanoic acid
SMILESCc1[nH]ncc1CC(N)C(=O)O
InChIInChI=1S/C7H11N3O2/c1-4-5(3-9-10-4)2-6(8)7(11)12/h3,6H,2,8H2,1H3,(H,9,10)(H,11,12)
InChIKeyREBOQKPRPQXSPA-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.33
Rot. Bonds3

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

2-amino-3-(5-methyl-1H-pyrazol-4-yl)propanoic acid (PubChem CID 62961134) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-amino-3-(5-methyl-1H-pyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(5-methyl-1H-pyrazol-4-yl)propanoic acid
PubChem CID62961134
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-amino-3-(5-methyl-1H-pyrazol-4-yl)propanoic acid
SMILESCc1[nH]ncc1CC(N)C(=O)O
InChIInChI=1S/C7H11N3O2/c1-4-5(3-9-10-4)2-6(8)7(11)12/h3,6H,2,8H2,1H3,(H,9,10)(H,11,12)
InChIKeyREBOQKPRPQXSPA-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

methyl 2-amino-3-(5-methyl-1H-pyrazol-4-yl)propanoate;hydrochloride
CID 170884317
(2S)-2-amino-3-(2,5-dimethyl-1H-pyrrol-3-yl)propanoic acid
CID 57266974
(2R)-2-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
CID 79013070
2-amino-3-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]propanoic acid
CID 170879716
3-(5-methyl-1H-pyrazol-4-yl)propanoic acid
CID 23006022
2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-phenylacetamide
CID 54896815
(2S)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid
CID 155388857
(2S)-2-amino-3-(4-amino-2-methylpyrimidin-5-yl)propanoic acid
CID 26792673
1-(1-methylcyclopropyl)-2-(5-methyl-1H-pyrazol-4-yl)ethanamine
CID 82409351
(2S)-4-amino-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]-4-oxobutanoic acid
CID 63717749
5-methyl-4-(2-methylbutyl)-1H-pyrazole
CID 118581492
(2S)-3,3-dimethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid
CID 54982755

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-methyl-1H-pyrazol-4-yl)propanoic acid?
The IUPAC name of 2-amino-3-(5-methyl-1H-pyrazol-4-yl)propanoic acid (CID 62961134) is 2-amino-3-(5-methyl-1H-pyrazol-4-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(5-methyl-1H-pyrazol-4-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(5-methyl-1H-pyrazol-4-yl)propanoic acid is Cc1[nH]ncc1CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(5-methyl-1H-pyrazol-4-yl)propanoic acid?
The InChIKey is REBOQKPRPQXSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-4-5(3-9-10-4)2-6(8)7(11)12/h3,6H,2,8H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-amino-3-(5-methyl-1H-pyrazol-4-yl)propanoic acid?
2-amino-3-(5-methyl-1H-pyrazol-4-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-(5-methyl-1H-pyrazol-4-yl)propanoic acid is sourced from PubChem (CID 62961134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).