2-[2-phenylethyl-(2-pyrazol-1-ylacetyl)amino]acetic acid

C15H17N3O3 — CID 119347306

IUPAC2-[2-phenylethyl-(2-pyrazol-1-ylacetyl)amino]acetic acid
SMILESO=C(O)CN(CCc1ccccc1)C(=O)Cn1cccn1
InChIInChI=1S/C15H17N3O3/c19-14(11-18-9-4-8-16-18)17(12-15(20)21)10-7-13-5-2-1-3-6-13/h1-6,8-9H,7,10-12H2,(H,20,21)
InChIKeyQOSFOQGOUUUQKD-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.04
Rot. Bonds7

About 2-[2-phenylethyl-(2-pyrazol-1-ylacetyl)amino]acetic acid

2-[2-phenylethyl-(2-pyrazol-1-ylacetyl)amino]acetic acid (PubChem CID 119347306) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[2-phenylethyl-(2-pyrazol-1-ylacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-phenylethyl-(2-pyrazol-1-ylacetyl)amino]acetic acid
PubChem CID119347306
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[2-phenylethyl-(2-pyrazol-1-ylacetyl)amino]acetic acid
SMILESO=C(O)CN(CCc1ccccc1)C(=O)Cn1cccn1
InChIInChI=1S/C15H17N3O3/c19-14(11-18-9-4-8-16-18)17(12-15(20)21)10-7-13-5-2-1-3-6-13/h1-6,8-9H,7,10-12H2,(H,20,21)
InChIKeyQOSFOQGOUUUQKD-UHFFFAOYSA-N
XLogP1.04
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-phenylethyl-[2-(tetrazol-1-yl)acetyl]amino]acetic acid
CID 119347669
2-[2-phenylethyl(4-pyridin-4-ylbutanoyl)amino]acetic acid
CID 20689270
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]-(2-phenylethyl)amino]acetic acid
CID 119347603
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-[2-phenylethyl(3-phenylmethoxypropanoyl)amino]acetic acid
CID 119347399
2-[2-methylbutanoyl(2-phenylethyl)amino]acetic acid
CID 119347264
N-phenyl-N-propan-2-yl-2-pyrazol-1-ylacetamide
CID 60549343
2-[3-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]pyrazol-1-yl]acetic acid
CID 120524711
2-[[2-(1,4-dithian-2-yl)acetyl]-(2-phenylethyl)amino]acetic acid
CID 120540538
2-[[2-(2-methoxy-5-methylphenyl)acetyl]-(2-phenylethyl)amino]acetic acid
CID 119347663
2-[cyclobutanecarbonyl(2-phenylethyl)amino]acetic acid
CID 119347597

Frequently Asked Questions

What is the IUPAC name of 2-[2-phenylethyl-(2-pyrazol-1-ylacetyl)amino]acetic acid?
The IUPAC name of 2-[2-phenylethyl-(2-pyrazol-1-ylacetyl)amino]acetic acid (CID 119347306) is 2-[2-phenylethyl-(2-pyrazol-1-ylacetyl)amino]acetic acid.
What is the SMILES notation for 2-[2-phenylethyl-(2-pyrazol-1-ylacetyl)amino]acetic acid?
The canonical SMILES for 2-[2-phenylethyl-(2-pyrazol-1-ylacetyl)amino]acetic acid is O=C(O)CN(CCc1ccccc1)C(=O)Cn1cccn1.
What is the InChIKey of 2-[2-phenylethyl-(2-pyrazol-1-ylacetyl)amino]acetic acid?
The InChIKey is QOSFOQGOUUUQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-14(11-18-9-4-8-16-18)17(12-15(20)21)10-7-13-5-2-1-3-6-13/h1-6,8-9H,7,10-12H2,(H,20,21).
What are the key properties of 2-[2-phenylethyl-(2-pyrazol-1-ylacetyl)amino]acetic acid?
2-[2-phenylethyl-(2-pyrazol-1-ylacetyl)amino]acetic acid has a molecular weight of 287.32 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-phenylethyl-(2-pyrazol-1-ylacetyl)amino]acetic acid is sourced from PubChem (CID 119347306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).