2-cyclopropyl-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetic acid

C16H19N3O3 — CID 119214072

IUPAC2-cyclopropyl-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetic acid
SMILESCC1=NN(c2ccc(C(=O)NC(C(=O)O)C3CC3)cc2)CC1
InChIInChI=1S/C16H19N3O3/c1-10-8-9-19(18-10)13-6-4-12(5-7-13)15(20)17-14(16(21)22)11-2-3-11/h4-7,11,14H,2-3,8-9H2,1H3,(H,17,20)(H,21,22)
InChIKeyXEORIMVHQOVAEK-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.87
Rot. Bonds5

About 2-cyclopropyl-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetic acid

2-cyclopropyl-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetic acid (PubChem CID 119214072) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetic acid
PubChem CID119214072
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-cyclopropyl-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetic acid
SMILESCC1=NN(c2ccc(C(=O)NC(C(=O)O)C3CC3)cc2)CC1
InChIInChI=1S/C16H19N3O3/c1-10-8-9-19(18-10)13-6-4-12(5-7-13)15(20)17-14(16(21)22)11-2-3-11/h4-7,11,14H,2-3,8-9H2,1H3,(H,17,20)(H,21,22)
InChIKeyXEORIMVHQOVAEK-UHFFFAOYSA-N
XLogP1.87
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetic acid with MolForge

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Related Compounds

2-cyclopropyl-2-[(4-methylbenzoyl)amino]acetic acid
CID 55108281
ethyl (2R)-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]propanoate
CID 94779819
N-(cyclobutylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 47234524
(2S)-2-benzamido-2-cyclopropylacetic acid
CID 94553117
(2S)-4-methyl-2-[[2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetyl]amino]pentanoic acid
CID 120695407
N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 51956179
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 111696799
N-(1,3-benzodioxol-5-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 46487660
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 47231516
[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95290642
N-cyclopropyl-4-[[cyclopropyl-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]methyl]benzamide
CID 55699387
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041675

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetic acid (CID 119214072) is 2-cyclopropyl-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetic acid is CC1=NN(c2ccc(C(=O)NC(C(=O)O)C3CC3)cc2)CC1.
What is the InChIKey of 2-cyclopropyl-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetic acid?
The InChIKey is XEORIMVHQOVAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-8-9-19(18-10)13-6-4-12(5-7-13)15(20)17-14(16(21)22)11-2-3-11/h4-7,11,14H,2-3,8-9H2,1H3,(H,17,20)(H,21,22).
What are the key properties of 2-cyclopropyl-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetic acid?
2-cyclopropyl-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetic acid has a molecular weight of 301.35 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetic acid is sourced from PubChem (CID 119214072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).