methyl 3-[(3-amino-1H-pyrazole-5-carbonyl)amino]-2-hydroxypropanoate

C8H12N4O4 — CID 107211630

IUPACmethyl 3-[(3-amino-1H-pyrazole-5-carbonyl)amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C8H12N4O4/c1-16-8(15)5(13)3-10-7(14)4-2-6(9)12-11-4/h2,5,13H,3H2,1H3,(H,10,14)(H3,9,11,12)
InChIKeyXAYZMYDMIDRSGO-UHFFFAOYSA-N
MW228.21 g/mol
LogP-1.74
Rot. Bonds4

About methyl 3-[(3-amino-1H-pyrazole-5-carbonyl)amino]-2-hydroxypropanoate

methyl 3-[(3-amino-1H-pyrazole-5-carbonyl)amino]-2-hydroxypropanoate (PubChem CID 107211630) has the molecular formula C8H12N4O4 and a molecular weight of 228.21 g/mol. Its IUPAC name is methyl 3-[(3-amino-1H-pyrazole-5-carbonyl)amino]-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-[(3-amino-1H-pyrazole-5-carbonyl)amino]-2-hydroxypropanoate
PubChem CID107211630
Molecular FormulaC8H12N4O4
Molecular Weight228.21 g/mol
Exact Mass228.09
IUPAC Namemethyl 3-[(3-amino-1H-pyrazole-5-carbonyl)amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C8H12N4O4/c1-16-8(15)5(13)3-10-7(14)4-2-6(9)12-11-4/h2,5,13H,3H2,1H3,(H,10,14)(H3,9,11,12)
InChIKeyXAYZMYDMIDRSGO-UHFFFAOYSA-N
XLogP-1.74
TPSA130.33 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 5-1.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-amino-1H-pyrazole-5-carbonyl)amino]-2-hydroxypropanoate?
The IUPAC name of methyl 3-[(3-amino-1H-pyrazole-5-carbonyl)amino]-2-hydroxypropanoate (CID 107211630) is methyl 3-[(3-amino-1H-pyrazole-5-carbonyl)amino]-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-[(3-amino-1H-pyrazole-5-carbonyl)amino]-2-hydroxypropanoate?
The canonical SMILES for methyl 3-[(3-amino-1H-pyrazole-5-carbonyl)amino]-2-hydroxypropanoate is COC(=O)C(O)CNC(=O)c1cc(N)n[nH]1.
What is the InChIKey of methyl 3-[(3-amino-1H-pyrazole-5-carbonyl)amino]-2-hydroxypropanoate?
The InChIKey is XAYZMYDMIDRSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O4/c1-16-8(15)5(13)3-10-7(14)4-2-6(9)12-11-4/h2,5,13H,3H2,1H3,(H,10,14)(H3,9,11,12).
What are the key properties of methyl 3-[(3-amino-1H-pyrazole-5-carbonyl)amino]-2-hydroxypropanoate?
methyl 3-[(3-amino-1H-pyrazole-5-carbonyl)amino]-2-hydroxypropanoate has a molecular weight of 228.21 g/mol, XLogP of -1.74, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-amino-1H-pyrazole-5-carbonyl)amino]-2-hydroxypropanoate is sourced from PubChem (CID 107211630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).