2-(1-methylpyrazol-4-yl)-2-(morpholine-3-carbonylamino)acetic acid

C11H16N4O4 — CID 115288804

IUPAC2-(1-methylpyrazol-4-yl)-2-(morpholine-3-carbonylamino)acetic acid
SMILESCn1cc(C(NC(=O)C2COCCN2)C(=O)O)cn1
InChIInChI=1S/C11H16N4O4/c1-15-5-7(4-13-15)9(11(17)18)14-10(16)8-6-19-3-2-12-8/h4-5,8-9,12H,2-3,6H2,1H3,(H,14,16)(H,17,18)
InChIKeyJVITVAZZKZJXAH-UHFFFAOYSA-N
MW268.27 g/mol
LogP-1.35
Rot. Bonds4

About 2-(1-methylpyrazol-4-yl)-2-(morpholine-3-carbonylamino)acetic acid

2-(1-methylpyrazol-4-yl)-2-(morpholine-3-carbonylamino)acetic acid (PubChem CID 115288804) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-2-(morpholine-3-carbonylamino)acetic acid.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-2-(morpholine-3-carbonylamino)acetic acid
PubChem CID115288804
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name2-(1-methylpyrazol-4-yl)-2-(morpholine-3-carbonylamino)acetic acid
SMILESCn1cc(C(NC(=O)C2COCCN2)C(=O)O)cn1
InChIInChI=1S/C11H16N4O4/c1-15-5-7(4-13-15)9(11(17)18)14-10(16)8-6-19-3-2-12-8/h4-5,8-9,12H,2-3,6H2,1H3,(H,14,16)(H,17,18)
InChIKeyJVITVAZZKZJXAH-UHFFFAOYSA-N
XLogP-1.35
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-2-(morpholine-3-carbonylamino)acetic acid?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-2-(morpholine-3-carbonylamino)acetic acid (CID 115288804) is 2-(1-methylpyrazol-4-yl)-2-(morpholine-3-carbonylamino)acetic acid.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-2-(morpholine-3-carbonylamino)acetic acid?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-2-(morpholine-3-carbonylamino)acetic acid is Cn1cc(C(NC(=O)C2COCCN2)C(=O)O)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-2-(morpholine-3-carbonylamino)acetic acid?
The InChIKey is JVITVAZZKZJXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-15-5-7(4-13-15)9(11(17)18)14-10(16)8-6-19-3-2-12-8/h4-5,8-9,12H,2-3,6H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-(1-methylpyrazol-4-yl)-2-(morpholine-3-carbonylamino)acetic acid?
2-(1-methylpyrazol-4-yl)-2-(morpholine-3-carbonylamino)acetic acid has a molecular weight of 268.27 g/mol, XLogP of -1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-2-(morpholine-3-carbonylamino)acetic acid is sourced from PubChem (CID 115288804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).