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

C11H16N4O4 — CID 66434845

IUPAC2-[4-[(1-methylpyrazol-3-yl)carbamoyl]morpholin-2-yl]acetic acid
SMILESCn1ccc(NC(=O)N2CCOC(CC(=O)O)C2)n1
InChIInChI=1S/C11H16N4O4/c1-14-3-2-9(13-14)12-11(18)15-4-5-19-8(7-15)6-10(16)17/h2-3,8H,4-7H2,1H3,(H,16,17)(H,12,13,18)
InChIKeyFXFVFNSVHLTSCZ-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.13
Rot. Bonds3

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

2-[4-[(1-methylpyrazol-3-yl)carbamoyl]morpholin-2-yl]acetic acid (PubChem CID 66434845) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[4-[(1-methylpyrazol-3-yl)carbamoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(1-methylpyrazol-3-yl)carbamoyl]morpholin-2-yl]acetic acid
PubChem CID66434845
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name2-[4-[(1-methylpyrazol-3-yl)carbamoyl]morpholin-2-yl]acetic acid
SMILESCn1ccc(NC(=O)N2CCOC(CC(=O)O)C2)n1
InChIInChI=1S/C11H16N4O4/c1-14-3-2-9(13-14)12-11(18)15-4-5-19-8(7-15)6-10(16)17/h2-3,8H,4-7H2,1H3,(H,16,17)(H,12,13,18)
InChIKeyFXFVFNSVHLTSCZ-UHFFFAOYSA-N
XLogP0.13
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.13
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-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]morpholin-2-yl]acetic acid
CID 106105976
2-[4-[(4-methyl-3-pyridinyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66435665
N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide
CID 131036172
2-[4-[(2,4-dichlorophenyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66434437
2-[4-(3-ethyl-1-methylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 102810250
2-[4-[(3-fluoro-5-methylphenyl)carbamoyl]morpholin-2-yl]acetic acid
CID 79046066
2-[4-[(2-methylcyclopropyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66435660
2-[4-(2,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid
CID 66421729
ethyl 4-[(1-methylpyrazol-3-yl)carbamoyl]piperazine-1-carboxylate
CID 60617047
2-[4-(3-methylbutylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435211
2-[(2R)-2-methyl-1,4-oxazepan-4-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 124756401

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methylpyrazol-3-yl)carbamoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[(1-methylpyrazol-3-yl)carbamoyl]morpholin-2-yl]acetic acid (CID 66434845) is 2-[4-[(1-methylpyrazol-3-yl)carbamoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[(1-methylpyrazol-3-yl)carbamoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[(1-methylpyrazol-3-yl)carbamoyl]morpholin-2-yl]acetic acid is Cn1ccc(NC(=O)N2CCOC(CC(=O)O)C2)n1.
What is the InChIKey of 2-[4-[(1-methylpyrazol-3-yl)carbamoyl]morpholin-2-yl]acetic acid?
The InChIKey is FXFVFNSVHLTSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-14-3-2-9(13-14)12-11(18)15-4-5-19-8(7-15)6-10(16)17/h2-3,8H,4-7H2,1H3,(H,16,17)(H,12,13,18).
What are the key properties of 2-[4-[(1-methylpyrazol-3-yl)carbamoyl]morpholin-2-yl]acetic acid?
2-[4-[(1-methylpyrazol-3-yl)carbamoyl]morpholin-2-yl]acetic acid has a molecular weight of 268.27 g/mol, XLogP of 0.13, 3 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)carbamoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66434845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).