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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Related Compounds

2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288760
2-(1-methylpyrazol-4-yl)-2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 115288676
2-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288710
(3R)-N-[(1S)-1-phenylethyl]morpholine-3-carboxamide
CID 16681349
2-[(2-aminocyclohexanecarbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288703
N-[(1S)-2-hydroxy-1-phenylethyl]morpholine-3-carboxamide
CID 107862923
2-[[(2R)-2-aminopropanoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288761
2-(2,3-dimethylbutanoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288233
2-(1-methylpyrazol-4-yl)-2-(prop-2-enoylamino)acetic acid
CID 115287988
2-[[(2S)-2-aminobutanoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 113279603
2-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]acetic acid
CID 115289250
2-[(4-ethylpiperidine-4-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288700

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).