2-[(4-ethoxyphenyl)methyl]-3-[(1-propylpyrazole-4-carbonyl)amino]propanoic acid

C19H25N3O4 — CID 120524941

IUPAC2-[(4-ethoxyphenyl)methyl]-3-[(1-propylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCCCn1cc(C(=O)NCC(Cc2ccc(OCC)cc2)C(=O)O)cn1
InChIInChI=1S/C19H25N3O4/c1-3-9-22-13-16(12-21-22)18(23)20-11-15(19(24)25)10-14-5-7-17(8-6-14)26-4-2/h5-8,12-13,15H,3-4,9-11H2,1-2H3,(H,20,23)(H,24,25)
InChIKeyFLCYBGOYKFLRSS-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.37
Rot. Bonds10

About 2-[(4-ethoxyphenyl)methyl]-3-[(1-propylpyrazole-4-carbonyl)amino]propanoic acid

2-[(4-ethoxyphenyl)methyl]-3-[(1-propylpyrazole-4-carbonyl)amino]propanoic acid (PubChem CID 120524941) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)methyl]-3-[(1-propylpyrazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)methyl]-3-[(1-propylpyrazole-4-carbonyl)amino]propanoic acid
PubChem CID120524941
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name2-[(4-ethoxyphenyl)methyl]-3-[(1-propylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCCCn1cc(C(=O)NCC(Cc2ccc(OCC)cc2)C(=O)O)cn1
InChIInChI=1S/C19H25N3O4/c1-3-9-22-13-16(12-21-22)18(23)20-11-15(19(24)25)10-14-5-7-17(8-6-14)26-4-2/h5-8,12-13,15H,3-4,9-11H2,1-2H3,(H,20,23)(H,24,25)
InChIKeyFLCYBGOYKFLRSS-UHFFFAOYSA-N
XLogP2.37
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-ethoxyphenyl)methyl]-3-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 119232040
2-(benzamidomethyl)-3-(4-ethoxyphenyl)propanoic acid
CID 119231910
2-[[(3,5-dimethylfuran-2-carbonyl)amino]methyl]-3-(4-ethoxyphenyl)propanoic acid
CID 119232112
2-[4-[2-[(1-propylpyrazole-4-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 120529046
2-[(4-ethoxyphenyl)methyl]-3-(pyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid
CID 119231994
2-[(4-ethoxyphenyl)methyl]-3-(furan-2-carbonylamino)propanoic acid
CID 119232251
2-[(4-ethoxyphenyl)methyl]-3-(2-methylbutanoylamino)propanoic acid
CID 119231907
2-[(4-ethoxyphenyl)methyl]-3-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]propanoic acid
CID 119232157
2-[(4-ethoxyphenyl)methyl]-3-[(6-methoxypyridazine-3-carbonyl)amino]propanoic acid
CID 119232158
2-[(4-ethoxyphenyl)methyl]-3-[(3-methylthiophene-2-carbonyl)amino]propanoic acid
CID 119232009
2-[(4-ethoxyphenyl)methyl]-3-[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 119232304
2-[[(4-acetylthiophene-2-carbonyl)amino]methyl]-3-(4-ethoxyphenyl)propanoic acid
CID 119232308

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)methyl]-3-[(1-propylpyrazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(4-ethoxyphenyl)methyl]-3-[(1-propylpyrazole-4-carbonyl)amino]propanoic acid (CID 120524941) is 2-[(4-ethoxyphenyl)methyl]-3-[(1-propylpyrazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(4-ethoxyphenyl)methyl]-3-[(1-propylpyrazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(4-ethoxyphenyl)methyl]-3-[(1-propylpyrazole-4-carbonyl)amino]propanoic acid is CCCn1cc(C(=O)NCC(Cc2ccc(OCC)cc2)C(=O)O)cn1.
What is the InChIKey of 2-[(4-ethoxyphenyl)methyl]-3-[(1-propylpyrazole-4-carbonyl)amino]propanoic acid?
The InChIKey is FLCYBGOYKFLRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-3-9-22-13-16(12-21-22)18(23)20-11-15(19(24)25)10-14-5-7-17(8-6-14)26-4-2/h5-8,12-13,15H,3-4,9-11H2,1-2H3,(H,20,23)(H,24,25).
What are the key properties of 2-[(4-ethoxyphenyl)methyl]-3-[(1-propylpyrazole-4-carbonyl)amino]propanoic acid?
2-[(4-ethoxyphenyl)methyl]-3-[(1-propylpyrazole-4-carbonyl)amino]propanoic acid has a molecular weight of 359.43 g/mol, XLogP of 2.37, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)methyl]-3-[(1-propylpyrazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 120524941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).