2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]oxyacetic acid

C9H14N4O4 — CID 106037417

IUPAC2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]oxyacetic acid
SMILESCc1c(CNC(=O)NOCC(=O)O)cnn1C
InChIInChI=1S/C9H14N4O4/c1-6-7(4-11-13(6)2)3-10-9(16)12-17-5-8(14)15/h4H,3,5H2,1-2H3,(H,14,15)(H2,10,12,16)
InChIKeyNGSJKPYUACPGFE-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.46
Rot. Bonds5

About 2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]oxyacetic acid

2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]oxyacetic acid (PubChem CID 106037417) has the molecular formula C9H14N4O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]oxyacetic acid.

Molecular Properties

Compound Name2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]oxyacetic acid
PubChem CID106037417
Molecular FormulaC9H14N4O4
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC Name2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]oxyacetic acid
SMILESCc1c(CNC(=O)NOCC(=O)O)cnn1C
InChIInChI=1S/C9H14N4O4/c1-6-7(4-11-13(6)2)3-10-9(16)12-17-5-8(14)15/h4H,3,5H2,1-2H3,(H,14,15)(H2,10,12,16)
InChIKeyNGSJKPYUACPGFE-UHFFFAOYSA-N
XLogP-0.46
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(3-methyl-4-pyridinyl)methylcarbamoylamino]oxyacetic acid
CID 114701433
3-cyclopropyl-3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]propanoic acid
CID 106037678
1-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 114140497
(2R)-5-amino-2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid
CID 106037774
N-(2-aminoethyl)-N'-[(1,5-dimethylpyrazol-4-yl)methyl]oxamide
CID 106033656
2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethylurea
CID 83110053
(1,5-dimethylpyrazol-4-yl)methylthiourea
CID 106032933
1-[4-(aminomethyl)phenyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
CID 106049514
N-[(1,5-dimethylpyrazol-4-yl)methyl]prop-2-enamide
CID 106033545
4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide
CID 106047441
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-hydroxyiminopropanamide
CID 106041077
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbutanamide
CID 106047225

Frequently Asked Questions

What is the IUPAC name of 2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]oxyacetic acid?
The IUPAC name of 2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]oxyacetic acid (CID 106037417) is 2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]oxyacetic acid.
What is the SMILES notation for 2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]oxyacetic acid?
The canonical SMILES for 2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]oxyacetic acid is Cc1c(CNC(=O)NOCC(=O)O)cnn1C.
What is the InChIKey of 2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]oxyacetic acid?
The InChIKey is NGSJKPYUACPGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4/c1-6-7(4-11-13(6)2)3-10-9(16)12-17-5-8(14)15/h4H,3,5H2,1-2H3,(H,14,15)(H2,10,12,16).
What are the key properties of 2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]oxyacetic acid?
2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]oxyacetic acid has a molecular weight of 242.23 g/mol, XLogP of -0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]oxyacetic acid is sourced from PubChem (CID 106037417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).