2-[[2-(4-methylphenyl)acetyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid

C15H17N3O3 — CID 115288221

IUPAC2-[[2-(4-methylphenyl)acetyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCc1ccc(CC(=O)NC(C(=O)O)c2cnn(C)c2)cc1
InChIInChI=1S/C15H17N3O3/c1-10-3-5-11(6-4-10)7-13(19)17-14(15(20)21)12-8-16-18(2)9-12/h3-6,8-9,14H,7H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyFELINOXKBFRYLP-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.21
Rot. Bonds5

About 2-[[2-(4-methylphenyl)acetyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid

2-[[2-(4-methylphenyl)acetyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid (PubChem CID 115288221) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[[2-(4-methylphenyl)acetyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-[[2-(4-methylphenyl)acetyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
PubChem CID115288221
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[[2-(4-methylphenyl)acetyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCc1ccc(CC(=O)NC(C(=O)O)c2cnn(C)c2)cc1
InChIInChI=1S/C15H17N3O3/c1-10-3-5-11(6-4-10)7-13(19)17-14(15(20)21)12-8-16-18(2)9-12/h3-6,8-9,14H,7H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyFELINOXKBFRYLP-UHFFFAOYSA-N
XLogP1.21
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(aminomethyl)benzoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288689
2-(1-methylpyrazol-4-yl)-2-(3,4,4-trimethylpentanoylamino)acetic acid
CID 115288194
2-[(2-hydroxy-5-methylbenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288214
2-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]acetic acid
CID 115289250
2-[[(2S)-2-aminobutanoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 113279603
2-[(2-fluoro-5-methylbenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288212
2-[(2-butylsulfanylacetyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288096
(2S)-2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 93280089
2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 113313032
2-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288800
2-(2-aminopentanoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 113279611
2-(3-cyclohexylpropanoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288119

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methylphenyl)acetyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-[[2-(4-methylphenyl)acetyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid (CID 115288221) is 2-[[2-(4-methylphenyl)acetyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-[[2-(4-methylphenyl)acetyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-[[2-(4-methylphenyl)acetyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid is Cc1ccc(CC(=O)NC(C(=O)O)c2cnn(C)c2)cc1.
What is the InChIKey of 2-[[2-(4-methylphenyl)acetyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid?
The InChIKey is FELINOXKBFRYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-3-5-11(6-4-10)7-13(19)17-14(15(20)21)12-8-16-18(2)9-12/h3-6,8-9,14H,7H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 2-[[2-(4-methylphenyl)acetyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid?
2-[[2-(4-methylphenyl)acetyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid has a molecular weight of 287.32 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methylphenyl)acetyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 115288221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).