2-hydroxy-2-methyl-3-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid

C11H18N4O4 — CID 103009169

IUPAC2-hydroxy-2-methyl-3-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid
SMILESCn1nccc1CCNC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C11H18N4O4/c1-11(19,9(16)17)7-13-10(18)12-5-3-8-4-6-14-15(8)2/h4,6,19H,3,5,7H2,1-2H3,(H,16,17)(H2,12,13,18)
InChIKeyONHFYVVJIZKNRF-UHFFFAOYSA-N
MW270.29 g/mol
LogP-0.90
Rot. Bonds6

About 2-hydroxy-2-methyl-3-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid

2-hydroxy-2-methyl-3-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid (PubChem CID 103009169) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid
PubChem CID103009169
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name2-hydroxy-2-methyl-3-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid
SMILESCn1nccc1CCNC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C11H18N4O4/c1-11(19,9(16)17)7-13-10(18)12-5-3-8-4-6-14-15(8)2/h4,6,19H,3,5,7H2,1-2H3,(H,16,17)(H2,12,13,18)
InChIKeyONHFYVVJIZKNRF-UHFFFAOYSA-N
XLogP-0.90
TPSA116.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-0.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid (CID 103009169) is 2-hydroxy-2-methyl-3-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid is Cn1nccc1CCNC(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid?
The InChIKey is ONHFYVVJIZKNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-11(19,9(16)17)7-13-10(18)12-5-3-8-4-6-14-15(8)2/h4,6,19H,3,5,7H2,1-2H3,(H,16,17)(H2,12,13,18).
What are the key properties of 2-hydroxy-2-methyl-3-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid?
2-hydroxy-2-methyl-3-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid has a molecular weight of 270.29 g/mol, XLogP of -0.90, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid is sourced from PubChem (CID 103009169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).