2-[4-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]morpholin-2-yl]acetic acid

C13H20N4O4 — CID 106105976

IUPAC2-[4-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]morpholin-2-yl]acetic acid
SMILESCn1ccc(CCNC(=O)N2CCOC(CC(=O)O)C2)n1
InChIInChI=1S/C13H20N4O4/c1-16-5-3-10(15-16)2-4-14-13(20)17-6-7-21-11(9-17)8-12(18)19/h3,5,11H,2,4,6-9H2,1H3,(H,14,20)(H,18,19)
InChIKeyANXDGEHKTRVKHF-UHFFFAOYSA-N
MW296.33 g/mol
LogP-0.15
Rot. Bonds5

About 2-[4-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]morpholin-2-yl]acetic acid

2-[4-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]morpholin-2-yl]acetic acid (PubChem CID 106105976) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[4-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]morpholin-2-yl]acetic acid
PubChem CID106105976
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name2-[4-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]morpholin-2-yl]acetic acid
SMILESCn1ccc(CCNC(=O)N2CCOC(CC(=O)O)C2)n1
InChIInChI=1S/C13H20N4O4/c1-16-5-3-10(15-16)2-4-14-13(20)17-6-7-21-11(9-17)8-12(18)19/h3,5,11H,2,4,6-9H2,1H3,(H,14,20)(H,18,19)
InChIKeyANXDGEHKTRVKHF-UHFFFAOYSA-N
XLogP-0.15
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(1-methylpyrazol-3-yl)methylcarbamoyl]morpholin-2-yl]acetic acid
CID 82874321
2-[4-[(1-methylpyrazol-3-yl)carbamoyl]morpholin-2-yl]acetic acid
CID 66434845
1-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 106106000
2-[4-(3-methylbutylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435211
2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66436055
2-[4-[3-(dimethylamino)propylcarbamoyl]morpholin-2-yl]acetic acid
CID 66435216
2-[4-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]morpholin-2-yl]acetic acid
CID 66435659
2-[4-(2-sulfamoylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66434839
2-[4-[3-(methanesulfonamido)propylcarbamoyl]morpholin-2-yl]acetic acid
CID 106340298
2-[4-[[2-oxo-2-(propylamino)ethyl]carbamoyl]morpholin-2-yl]acetic acid
CID 66433095
2-[2-(1-methylpyrazol-3-yl)ethylamino]acetic acid
CID 106104698
2-[4-(2-prop-2-ynylsulfanylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 114187992

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]morpholin-2-yl]acetic acid (CID 106105976) is 2-[4-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]morpholin-2-yl]acetic acid is Cn1ccc(CCNC(=O)N2CCOC(CC(=O)O)C2)n1.
What is the InChIKey of 2-[4-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]morpholin-2-yl]acetic acid?
The InChIKey is ANXDGEHKTRVKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-16-5-3-10(15-16)2-4-14-13(20)17-6-7-21-11(9-17)8-12(18)19/h3,5,11H,2,4,6-9H2,1H3,(H,14,20)(H,18,19).
What are the key properties of 2-[4-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]morpholin-2-yl]acetic acid?
2-[4-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]morpholin-2-yl]acetic acid has a molecular weight of 296.33 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 106105976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).