2-[(1-methylpyrazole-4-carbonyl)-prop-2-enylamino]acetic acid

C10H13N3O3 — CID 79264280

IUPAC2-[(1-methylpyrazole-4-carbonyl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)c1cnn(C)c1
InChIInChI=1S/C10H13N3O3/c1-3-4-13(7-9(14)15)10(16)8-5-11-12(2)6-8/h3,5-6H,1,4,7H2,2H3,(H,14,15)
InChIKeyFRYSYESNPYYWRB-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.13
Rot. Bonds5

About 2-[(1-methylpyrazole-4-carbonyl)-prop-2-enylamino]acetic acid

2-[(1-methylpyrazole-4-carbonyl)-prop-2-enylamino]acetic acid (PubChem CID 79264280) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-[(1-methylpyrazole-4-carbonyl)-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-methylpyrazole-4-carbonyl)-prop-2-enylamino]acetic acid
PubChem CID79264280
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-[(1-methylpyrazole-4-carbonyl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)c1cnn(C)c1
InChIInChI=1S/C10H13N3O3/c1-3-4-13(7-9(14)15)10(16)8-5-11-12(2)6-8/h3,5-6H,1,4,7H2,2H3,(H,14,15)
InChIKeyFRYSYESNPYYWRB-UHFFFAOYSA-N
XLogP0.13
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[3-(1-methylpyrazol-4-yl)prop-2-enoyl-prop-2-enylamino]acetic acid
CID 79262588
2-[tert-butyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid
CID 79266390
2-[benzoyl(prop-2-enyl)amino]acetic acid
CID 67991979
3-[ethyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 61008278
2-[cyclopentyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid
CID 54926515
2-[[4-(dimethylamino)benzoyl]-prop-2-enylamino]acetic acid
CID 79264539
2-[carboxymethyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
CID 63644606
3-[methyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 60989525
2-[(3-propan-2-yloxybenzoyl)-prop-2-enylamino]acetic acid
CID 79264054
N-ethyl-1-methyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 78970434
2-[prop-2-enyl-[4-(trifluoromethyl)benzoyl]amino]acetic acid
CID 79264072
2-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]acetic acid
CID 56703387

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazole-4-carbonyl)-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[(1-methylpyrazole-4-carbonyl)-prop-2-enylamino]acetic acid (CID 79264280) is 2-[(1-methylpyrazole-4-carbonyl)-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[(1-methylpyrazole-4-carbonyl)-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[(1-methylpyrazole-4-carbonyl)-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)c1cnn(C)c1.
What is the InChIKey of 2-[(1-methylpyrazole-4-carbonyl)-prop-2-enylamino]acetic acid?
The InChIKey is FRYSYESNPYYWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-3-4-13(7-9(14)15)10(16)8-5-11-12(2)6-8/h3,5-6H,1,4,7H2,2H3,(H,14,15).
What are the key properties of 2-[(1-methylpyrazole-4-carbonyl)-prop-2-enylamino]acetic acid?
2-[(1-methylpyrazole-4-carbonyl)-prop-2-enylamino]acetic acid has a molecular weight of 223.23 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazole-4-carbonyl)-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79264280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).