3-[3-ethoxypropyl-(1-methylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid

C14H23N3O4 — CID 119208314

IUPAC3-[3-ethoxypropyl-(1-methylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid
SMILESCCOCCCN(CC(C)C(=O)O)C(=O)c1cnn(C)c1
InChIInChI=1S/C14H23N3O4/c1-4-21-7-5-6-17(9-11(2)14(19)20)13(18)12-8-15-16(3)10-12/h8,10-11H,4-7,9H2,1-3H3,(H,19,20)
InChIKeyHGHYWGIHWLGINS-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.01
Rot. Bonds9

About 3-[3-ethoxypropyl-(1-methylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid

3-[3-ethoxypropyl-(1-methylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 119208314) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-[3-ethoxypropyl-(1-methylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[3-ethoxypropyl-(1-methylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid
PubChem CID119208314
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name3-[3-ethoxypropyl-(1-methylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid
SMILESCCOCCCN(CC(C)C(=O)O)C(=O)c1cnn(C)c1
InChIInChI=1S/C14H23N3O4/c1-4-21-7-5-6-17(9-11(2)14(19)20)13(18)12-8-15-16(3)10-12/h8,10-11H,4-7,9H2,1-3H3,(H,19,20)
InChIKeyHGHYWGIHWLGINS-UHFFFAOYSA-N
XLogP1.01
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(1,5-dimethylpyrrole-2-carbonyl)-(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 119208438
3-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 120520318
3-[3-ethoxypropyl-(1-methylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 119208607
3-[3-ethoxypropyl(1H-indole-6-carbonyl)amino]-2-methylpropanoic acid
CID 119208488
3-[3-ethoxypropyl(pyrazolo[1,5-a]pyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 119208272
3-[acetyl(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 82323212
3-[3-ethoxypropyl-[1-(4-methylphenyl)triazole-4-carbonyl]amino]-2-methylpropanoic acid
CID 119208566
3-[3-ethoxypropyl-(3-methylthiophene-2-carbonyl)amino]-2-methylpropanoic acid
CID 119208280
3-[(2-chlorobenzoyl)-(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 119208279
3-[3-ethoxypropyl-(5-ethyl-1,3-oxazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 119208459
3-[3-ethoxypropyl-(4-fluoro-3-methoxybenzoyl)amino]-2-methylpropanoic acid
CID 120520259
3-[3-ethoxypropyl-(3-methylpyridine-2-carbonyl)amino]-2-methylpropanoic acid
CID 120520296

Frequently Asked Questions

What is the IUPAC name of 3-[3-ethoxypropyl-(1-methylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[3-ethoxypropyl-(1-methylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid (CID 119208314) is 3-[3-ethoxypropyl-(1-methylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[3-ethoxypropyl-(1-methylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[3-ethoxypropyl-(1-methylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid is CCOCCCN(CC(C)C(=O)O)C(=O)c1cnn(C)c1.
What is the InChIKey of 3-[3-ethoxypropyl-(1-methylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is HGHYWGIHWLGINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-4-21-7-5-6-17(9-11(2)14(19)20)13(18)12-8-15-16(3)10-12/h8,10-11H,4-7,9H2,1-3H3,(H,19,20).
What are the key properties of 3-[3-ethoxypropyl-(1-methylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid?
3-[3-ethoxypropyl-(1-methylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 297.36 g/mol, XLogP of 1.01, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-ethoxypropyl-(1-methylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 119208314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).