2-[2-(3-aminopyrazol-1-yl)acetyl]oxypropanoic acid

C8H11N3O4 — CID 62111762

IUPAC2-[2-(3-aminopyrazol-1-yl)acetyl]oxypropanoic acid
SMILESCC(OC(=O)Cn1ccc(N)n1)C(=O)O
InChIInChI=1S/C8H11N3O4/c1-5(8(13)14)15-7(12)4-11-3-2-6(9)10-11/h2-3,5H,4H2,1H3,(H2,9,10)(H,13,14)
InChIKeyGYUNUXOYFKRZKU-UHFFFAOYSA-N
MW213.19 g/mol
LogP-0.52
Rot. Bonds4

About 2-[2-(3-aminopyrazol-1-yl)acetyl]oxypropanoic acid

2-[2-(3-aminopyrazol-1-yl)acetyl]oxypropanoic acid (PubChem CID 62111762) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 2-[2-(3-aminopyrazol-1-yl)acetyl]oxypropanoic acid.

Molecular Properties

Compound Name2-[2-(3-aminopyrazol-1-yl)acetyl]oxypropanoic acid
PubChem CID62111762
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name2-[2-(3-aminopyrazol-1-yl)acetyl]oxypropanoic acid
SMILESCC(OC(=O)Cn1ccc(N)n1)C(=O)O
InChIInChI=1S/C8H11N3O4/c1-5(8(13)14)15-7(12)4-11-3-2-6(9)10-11/h2-3,5H,4H2,1H3,(H2,9,10)(H,13,14)
InChIKeyGYUNUXOYFKRZKU-UHFFFAOYSA-N
XLogP-0.52
TPSA107.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(3-methylbutylamino)-1-oxopropan-2-yl] 2-(3-aminopyrazol-1-yl)acetate
CID 62111923
(1-oxo-1-piperidin-1-ylpropan-2-yl) 2-(3-aminopyrazol-1-yl)acetate
CID 62112249
[1-(butan-2-ylamino)-1-oxopropan-2-yl] 2-(3-aminopyrazol-1-yl)acetate
CID 62114107
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(3-aminopyrazol-1-yl)acetate
CID 55035689
2-(3-aminopyrazol-1-yl)acetic acid;hydrochloride
CID 68584294
octyl 2-(3-aminopyrazol-1-yl)acetate
CID 62113086
2-phenylethyl 2-(3-aminopyrazol-1-yl)acetate
CID 62113235
2-(3-aminopyrazol-1-yl)-N-methylacetamide
CID 60783095
2-(3-aminopyrazol-1-yl)-N-butan-2-ylacetamide
CID 60783220
2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]propanamide
CID 62101706
2-(3-aminopyrazol-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 107863852
2-(3-aminopyrazol-1-yl)-N-(4-hydroxybutan-2-yl)acetamide
CID 83176621

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-aminopyrazol-1-yl)acetyl]oxypropanoic acid?
The IUPAC name of 2-[2-(3-aminopyrazol-1-yl)acetyl]oxypropanoic acid (CID 62111762) is 2-[2-(3-aminopyrazol-1-yl)acetyl]oxypropanoic acid.
What is the SMILES notation for 2-[2-(3-aminopyrazol-1-yl)acetyl]oxypropanoic acid?
The canonical SMILES for 2-[2-(3-aminopyrazol-1-yl)acetyl]oxypropanoic acid is CC(OC(=O)Cn1ccc(N)n1)C(=O)O.
What is the InChIKey of 2-[2-(3-aminopyrazol-1-yl)acetyl]oxypropanoic acid?
The InChIKey is GYUNUXOYFKRZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-5(8(13)14)15-7(12)4-11-3-2-6(9)10-11/h2-3,5H,4H2,1H3,(H2,9,10)(H,13,14).
What are the key properties of 2-[2-(3-aminopyrazol-1-yl)acetyl]oxypropanoic acid?
2-[2-(3-aminopyrazol-1-yl)acetyl]oxypropanoic acid has a molecular weight of 213.19 g/mol, XLogP of -0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-aminopyrazol-1-yl)acetyl]oxypropanoic acid is sourced from PubChem (CID 62111762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).