2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]-(2-phenylethyl)amino]acetic acid

C17H21N3O3 — CID 119347603

IUPAC2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]-(2-phenylethyl)amino]acetic acid
SMILESCc1cc(C)n(CC(=O)N(CCc2ccccc2)CC(=O)O)n1
InChIInChI=1S/C17H21N3O3/c1-13-10-14(2)20(18-13)11-16(21)19(12-17(22)23)9-8-15-6-4-3-5-7-15/h3-7,10H,8-9,11-12H2,1-2H3,(H,22,23)
InChIKeyLQIWZPHGPOSKEY-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.66
Rot. Bonds7

About 2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]-(2-phenylethyl)amino]acetic acid

2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]-(2-phenylethyl)amino]acetic acid (PubChem CID 119347603) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]-(2-phenylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]-(2-phenylethyl)amino]acetic acid
PubChem CID119347603
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]-(2-phenylethyl)amino]acetic acid
SMILESCc1cc(C)n(CC(=O)N(CCc2ccccc2)CC(=O)O)n1
InChIInChI=1S/C17H21N3O3/c1-13-10-14(2)20(18-13)11-16(21)19(12-17(22)23)9-8-15-6-4-3-5-7-15/h3-7,10H,8-9,11-12H2,1-2H3,(H,22,23)
InChIKeyLQIWZPHGPOSKEY-UHFFFAOYSA-N
XLogP1.66
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[benzyl-[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2-methylpropanoic acid
CID 75428850
2-[2-phenylethyl-[2-(tetrazol-1-yl)acetyl]amino]acetic acid
CID 119347669
2-[2-phenylethyl-(2-pyrazol-1-ylacetyl)amino]acetic acid
CID 119347306
2-(3,5-dimethylpyrazol-1-yl)-N,N-bis(2-methylpropyl)acetamide
CID 102322542
N-(2-aminoethyl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-phenylethyl)benzamide;hydrochloride
CID 120884493
2-[[2-(2-methoxy-5-methylphenyl)acetyl]-(2-phenylethyl)amino]acetic acid
CID 119347663
2-[2-phenylethyl(4-pyridin-4-ylbutanoyl)amino]acetic acid
CID 20689270
methyl 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]-ethylamino]propanoate
CID 54899031
2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]-(2-phenylethyl)amino]acetic acid
CID 119347312
2-[2-phenylethyl-(2-phenylmethoxyacetyl)amino]acetic acid
CID 119347329
2-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-1-phenylbutan-2-ylideneamino]acetamide
CID 6147863
2-[3-(3,5-dimethylpyrazol-1-yl)propanoyl-(2-methylpropyl)amino]acetic acid
CID 63072604

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]-(2-phenylethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]-(2-phenylethyl)amino]acetic acid (CID 119347603) is 2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]-(2-phenylethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]-(2-phenylethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]-(2-phenylethyl)amino]acetic acid is Cc1cc(C)n(CC(=O)N(CCc2ccccc2)CC(=O)O)n1.
What is the InChIKey of 2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]-(2-phenylethyl)amino]acetic acid?
The InChIKey is LQIWZPHGPOSKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-13-10-14(2)20(18-13)11-16(21)19(12-17(22)23)9-8-15-6-4-3-5-7-15/h3-7,10H,8-9,11-12H2,1-2H3,(H,22,23).
What are the key properties of 2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]-(2-phenylethyl)amino]acetic acid?
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]-(2-phenylethyl)amino]acetic acid has a molecular weight of 315.37 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]-(2-phenylethyl)amino]acetic acid is sourced from PubChem (CID 119347603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).