2-[3-methyl-1-(1H-pyrazol-4-ylcarbamoyl)azetidin-3-yl]oxyacetic acid

C10H14N4O4 — CID 102658595

IUPAC2-[3-methyl-1-(1H-pyrazol-4-ylcarbamoyl)azetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)Nc2cn[nH]c2)C1
InChIInChI=1S/C10H14N4O4/c1-10(18-4-8(15)16)5-14(6-10)9(17)13-7-2-11-12-3-7/h2-3H,4-6H2,1H3,(H,11,12)(H,13,17)(H,15,16)
InChIKeyNNCLZVARBVAFSP-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.12
Rot. Bonds4

About 2-[3-methyl-1-(1H-pyrazol-4-ylcarbamoyl)azetidin-3-yl]oxyacetic acid

2-[3-methyl-1-(1H-pyrazol-4-ylcarbamoyl)azetidin-3-yl]oxyacetic acid (PubChem CID 102658595) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-[3-methyl-1-(1H-pyrazol-4-ylcarbamoyl)azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-(1H-pyrazol-4-ylcarbamoyl)azetidin-3-yl]oxyacetic acid
PubChem CID102658595
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name2-[3-methyl-1-(1H-pyrazol-4-ylcarbamoyl)azetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)Nc2cn[nH]c2)C1
InChIInChI=1S/C10H14N4O4/c1-10(18-4-8(15)16)5-14(6-10)9(17)13-7-2-11-12-3-7/h2-3H,4-6H2,1H3,(H,11,12)(H,13,17)(H,15,16)
InChIKeyNNCLZVARBVAFSP-UHFFFAOYSA-N
XLogP0.12
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(1H-pyrazol-4-yl)urea
CID 60480772
4-(1H-pyrazol-4-ylcarbamoyl)morpholine-2-carboxylic acid
CID 61738215
2-[1-(1H-pyrazol-4-ylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63876443
2-hydroxy-3-(1H-pyrazol-4-ylcarbamoylamino)propanoic acid
CID 66166941
2-hydroxy-2-methyl-3-(1H-pyrazol-4-ylcarbamoylamino)propanoic acid
CID 66175083
2-[2-methoxyethyl(1H-pyrazol-4-ylcarbamoyl)amino]acetic acid
CID 79271536
2-[2-[(1-Methylpyrazol-4-yl)carbamoylamino]ethoxy]acetic acid
CID 79464024
2-[2-(1H-pyrazol-4-ylcarbamoylamino)ethoxy]acetic acid
CID 79464111
2-(3-methylazetidin-3-yl)oxy-N-(1H-pyrazol-4-yl)acetamide
CID 102611374
2-[3-Methyl-1-[(1-methylpyrazol-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid
CID 102658593
2-[1-[(1-Ethylpyrazol-4-yl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658597
2-[3-Methyl-1-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid
CID 102658875

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-(1H-pyrazol-4-ylcarbamoyl)azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-(1H-pyrazol-4-ylcarbamoyl)azetidin-3-yl]oxyacetic acid (CID 102658595) is 2-[3-methyl-1-(1H-pyrazol-4-ylcarbamoyl)azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-(1H-pyrazol-4-ylcarbamoyl)azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-(1H-pyrazol-4-ylcarbamoyl)azetidin-3-yl]oxyacetic acid is CC1(OCC(=O)O)CN(C(=O)Nc2cn[nH]c2)C1.
What is the InChIKey of 2-[3-methyl-1-(1H-pyrazol-4-ylcarbamoyl)azetidin-3-yl]oxyacetic acid?
The InChIKey is NNCLZVARBVAFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-10(18-4-8(15)16)5-14(6-10)9(17)13-7-2-11-12-3-7/h2-3H,4-6H2,1H3,(H,11,12)(H,13,17)(H,15,16).
What are the key properties of 2-[3-methyl-1-(1H-pyrazol-4-ylcarbamoyl)azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-(1H-pyrazol-4-ylcarbamoyl)azetidin-3-yl]oxyacetic acid has a molecular weight of 254.25 g/mol, XLogP of 0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-(1H-pyrazol-4-ylcarbamoyl)azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102658595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).