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

C12H18N4O4 — CID 82874321

IUPAC2-[4-[(1-methylpyrazol-3-yl)methylcarbamoyl]morpholin-2-yl]acetic acid
SMILESCn1ccc(CNC(=O)N2CCOC(CC(=O)O)C2)n1
InChIInChI=1S/C12H18N4O4/c1-15-3-2-9(14-15)7-13-12(19)16-4-5-20-10(8-16)6-11(17)18/h2-3,10H,4-8H2,1H3,(H,13,19)(H,17,18)
InChIKeyHPFLUQDOSUSHIJ-UHFFFAOYSA-N
MW282.30 g/mol
LogP-0.19
Rot. Bonds4

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

2-[4-[(1-methylpyrazol-3-yl)methylcarbamoyl]morpholin-2-yl]acetic acid (PubChem CID 82874321) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[4-[(1-methylpyrazol-3-yl)methylcarbamoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(1-methylpyrazol-3-yl)methylcarbamoyl]morpholin-2-yl]acetic acid
PubChem CID82874321
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name2-[4-[(1-methylpyrazol-3-yl)methylcarbamoyl]morpholin-2-yl]acetic acid
SMILESCn1ccc(CNC(=O)N2CCOC(CC(=O)O)C2)n1
InChIInChI=1S/C12H18N4O4/c1-15-3-2-9(14-15)7-13-12(19)16-4-5-20-10(8-16)6-11(17)18/h2-3,10H,4-8H2,1H3,(H,13,19)(H,17,18)
InChIKeyHPFLUQDOSUSHIJ-UHFFFAOYSA-N
XLogP-0.19
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]morpholin-2-yl]acetic acid
CID 106105976
2-[4-[(1-methylpyrazol-3-yl)carbamoyl]morpholin-2-yl]acetic acid
CID 66434845
2-[4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]morpholin-2-yl]acetic acid
CID 66434515
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-[[2-oxo-2-(propylamino)ethyl]carbamoyl]morpholin-2-yl]acetic acid
CID 66433095
2-[4-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]morpholin-2-yl]acetic acid
CID 66435659
2-[4-[3-(dimethylamino)propylcarbamoyl]morpholin-2-yl]acetic acid
CID 66435216
2-[4-(3-ethyl-1-methylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 102810250
1-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 82873969
2-[4-[(4-methyl-3-pyridinyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66435665
2-[4-[[(2-ethylmorpholine-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115458536

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methylpyrazol-3-yl)methylcarbamoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[(1-methylpyrazol-3-yl)methylcarbamoyl]morpholin-2-yl]acetic acid (CID 82874321) is 2-[4-[(1-methylpyrazol-3-yl)methylcarbamoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[(1-methylpyrazol-3-yl)methylcarbamoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[(1-methylpyrazol-3-yl)methylcarbamoyl]morpholin-2-yl]acetic acid is Cn1ccc(CNC(=O)N2CCOC(CC(=O)O)C2)n1.
What is the InChIKey of 2-[4-[(1-methylpyrazol-3-yl)methylcarbamoyl]morpholin-2-yl]acetic acid?
The InChIKey is HPFLUQDOSUSHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-15-3-2-9(14-15)7-13-12(19)16-4-5-20-10(8-16)6-11(17)18/h2-3,10H,4-8H2,1H3,(H,13,19)(H,17,18).
What are the key properties of 2-[4-[(1-methylpyrazol-3-yl)methylcarbamoyl]morpholin-2-yl]acetic acid?
2-[4-[(1-methylpyrazol-3-yl)methylcarbamoyl]morpholin-2-yl]acetic acid has a molecular weight of 282.30 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methylpyrazol-3-yl)methylcarbamoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 82874321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).