2-(4-amino-3-methoxycarbonylpyrazol-1-yl)propanoic acid

C8H11N3O4 — CID 107344703

IUPAC2-(4-amino-3-methoxycarbonylpyrazol-1-yl)propanoic acid
SMILESCOC(=O)c1nn(C(C)C(=O)O)cc1N
InChIInChI=1S/C8H11N3O4/c1-4(7(12)13)11-3-5(9)6(10-11)8(14)15-2/h3-4H,9H2,1-2H3,(H,12,13)
InChIKeyFDRYNVBSDOHATI-UHFFFAOYSA-N
MW213.19 g/mol
LogP-0.10
Rot. Bonds3

About 2-(4-amino-3-methoxycarbonylpyrazol-1-yl)propanoic acid

2-(4-amino-3-methoxycarbonylpyrazol-1-yl)propanoic acid (PubChem CID 107344703) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 2-(4-amino-3-methoxycarbonylpyrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-amino-3-methoxycarbonylpyrazol-1-yl)propanoic acid
PubChem CID107344703
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name2-(4-amino-3-methoxycarbonylpyrazol-1-yl)propanoic acid
SMILESCOC(=O)c1nn(C(C)C(=O)O)cc1N
InChIInChI=1S/C8H11N3O4/c1-4(7(12)13)11-3-5(9)6(10-11)8(14)15-2/h3-4H,9H2,1-2H3,(H,12,13)
InChIKeyFDRYNVBSDOHATI-UHFFFAOYSA-N
XLogP-0.10
TPSA107.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-amino-1-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxylate
CID 107345053
dimethyl 1-[3-[3,4-bis(methoxycarbonyl)pyrazol-1-yl]-1,4-dimethoxy-1,4-dioxobutan-2-yl]pyrazole-3,4-dicarboxylate
CID 102355902
4-amino-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 107344274
4-amino-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 107344126
methyl 4-amino-1-tert-butylpyrazole-3-carboxylate
CID 122445443
4-amino-1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]pyrazole-3-carboxamide
CID 107345162
ethyl 4-amino-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrazole-3-carboxylate
CID 107344871
methyl 4-amino-1-(2-amino-2-oxoethyl)pyrazole-3-carboxylate
CID 107344544
(2S)-2-(3-carbamoyl-4-nitropyrazol-1-yl)propanoic acid
CID 124744662
methyl 4-amino-1-[3-oxo-3-(propan-2-ylamino)propyl]pyrazole-3-carboxylate
CID 107344412
ethyl 4-amino-1-pentan-2-ylpyrazole-3-carboxylate
CID 107891686
4-amino-1-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxamide
CID 107345394

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methoxycarbonylpyrazol-1-yl)propanoic acid?
The IUPAC name of 2-(4-amino-3-methoxycarbonylpyrazol-1-yl)propanoic acid (CID 107344703) is 2-(4-amino-3-methoxycarbonylpyrazol-1-yl)propanoic acid.
What is the SMILES notation for 2-(4-amino-3-methoxycarbonylpyrazol-1-yl)propanoic acid?
The canonical SMILES for 2-(4-amino-3-methoxycarbonylpyrazol-1-yl)propanoic acid is COC(=O)c1nn(C(C)C(=O)O)cc1N.
What is the InChIKey of 2-(4-amino-3-methoxycarbonylpyrazol-1-yl)propanoic acid?
The InChIKey is FDRYNVBSDOHATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-4(7(12)13)11-3-5(9)6(10-11)8(14)15-2/h3-4H,9H2,1-2H3,(H,12,13).
What are the key properties of 2-(4-amino-3-methoxycarbonylpyrazol-1-yl)propanoic acid?
2-(4-amino-3-methoxycarbonylpyrazol-1-yl)propanoic acid has a molecular weight of 213.19 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methoxycarbonylpyrazol-1-yl)propanoic acid is sourced from PubChem (CID 107344703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).