2-[[2-(4-nitropyrazol-1-yl)acetyl]-prop-2-enylamino]acetic acid

C10H12N4O5 — CID 79264763

IUPAC2-[[2-(4-nitropyrazol-1-yl)acetyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C10H12N4O5/c1-2-3-12(7-10(16)17)9(15)6-13-5-8(4-11-13)14(18)19/h2,4-5H,1,3,6-7H2,(H,16,17)
InChIKeyFAVVFUHLHUQVEP-UHFFFAOYSA-N
MW268.23 g/mol
LogP-0.11
Rot. Bonds7

About 2-[[2-(4-nitropyrazol-1-yl)acetyl]-prop-2-enylamino]acetic acid

2-[[2-(4-nitropyrazol-1-yl)acetyl]-prop-2-enylamino]acetic acid (PubChem CID 79264763) has the molecular formula C10H12N4O5 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-[[2-(4-nitropyrazol-1-yl)acetyl]-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-nitropyrazol-1-yl)acetyl]-prop-2-enylamino]acetic acid
PubChem CID79264763
Molecular FormulaC10H12N4O5
Molecular Weight268.23 g/mol
Exact Mass268.08
IUPAC Name2-[[2-(4-nitropyrazol-1-yl)acetyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C10H12N4O5/c1-2-3-12(7-10(16)17)9(15)6-13-5-8(4-11-13)14(18)19/h2,4-5H,1,3,6-7H2,(H,16,17)
InChIKeyFAVVFUHLHUQVEP-UHFFFAOYSA-N
XLogP-0.11
TPSA118.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[2-(4-nitropyrazol-1-yl)acetyl]-prop-2-enylamino]acetic acid with MolForge

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Related Compounds

2-[carboxymethyl-[2-(4-nitropyrazol-1-yl)acetyl]amino]acetic acid
CID 63645061
2-[[2-(4-nitropyrazol-1-yl)acetyl]-propan-2-ylamino]acetic acid
CID 60831883
2-[2-(4-nitropyrazol-1-yl)ethyl-prop-2-enylamino]ethanol
CID 111565161
2-[benzyl-[3-(4-nitropyrazol-1-yl)propanoyl]amino]acetic acid
CID 119197065
N-(2,2-diethoxyethyl)-N-ethyl-2-(4-nitropyrazol-1-yl)acetamide
CID 126824065
N-(2-aminoethyl)-2-(4-nitropyrazol-1-yl)-N-(2-phenylethyl)acetamide
CID 120884306
N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide
CID 131036166
N-benzyl-2-(4-nitropyrazol-1-yl)-N-phenylacetamide
CID 2982830
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-nitropyrazol-1-yl)acetamide
CID 119653864
2-[(1-methylpyrazole-4-carbonyl)-prop-2-enylamino]acetic acid
CID 79264280
1-methoxy-3-(4-nitropyrazol-1-yl)propan-2-one
CID 107507631
2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]acetamide
CID 60733166

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-nitropyrazol-1-yl)acetyl]-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[[2-(4-nitropyrazol-1-yl)acetyl]-prop-2-enylamino]acetic acid (CID 79264763) is 2-[[2-(4-nitropyrazol-1-yl)acetyl]-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[[2-(4-nitropyrazol-1-yl)acetyl]-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[[2-(4-nitropyrazol-1-yl)acetyl]-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)Cn1cc([N+](=O)[O-])cn1.
What is the InChIKey of 2-[[2-(4-nitropyrazol-1-yl)acetyl]-prop-2-enylamino]acetic acid?
The InChIKey is FAVVFUHLHUQVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O5/c1-2-3-12(7-10(16)17)9(15)6-13-5-8(4-11-13)14(18)19/h2,4-5H,1,3,6-7H2,(H,16,17).
What are the key properties of 2-[[2-(4-nitropyrazol-1-yl)acetyl]-prop-2-enylamino]acetic acid?
2-[[2-(4-nitropyrazol-1-yl)acetyl]-prop-2-enylamino]acetic acid has a molecular weight of 268.23 g/mol, XLogP of -0.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-nitropyrazol-1-yl)acetyl]-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79264763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).