2-[cyclobutyl-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]acetic acid

C14H21N3O3 — CID 154740857

IUPAC2-[cyclobutyl-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]acetic acid
SMILESCc1nn(C(C)C)cc1C(=O)N(CC(=O)O)C1CCC1
InChIInChI=1S/C14H21N3O3/c1-9(2)17-7-12(10(3)15-17)14(20)16(8-13(18)19)11-5-4-6-11/h7,9,11H,4-6,8H2,1-3H3,(H,18,19)
InChIKeyGCZMEGAENXRKBV-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.85
Rot. Bonds5

About 2-[cyclobutyl-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]acetic acid

2-[cyclobutyl-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]acetic acid (PubChem CID 154740857) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[cyclobutyl-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclobutyl-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]acetic acid
PubChem CID154740857
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[cyclobutyl-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]acetic acid
SMILESCc1nn(C(C)C)cc1C(=O)N(CC(=O)O)C1CCC1
InChIInChI=1S/C14H21N3O3/c1-9(2)17-7-12(10(3)15-17)14(20)16(8-13(18)19)11-5-4-6-11/h7,9,11H,4-6,8H2,1-3H3,(H,18,19)
InChIKeyGCZMEGAENXRKBV-UHFFFAOYSA-N
XLogP1.85
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclopropyl-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 136551490
2-[cyclopropyl-(3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid
CID 119195118
N-cyclobutyl-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102684082
2-[cyclopentyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid
CID 60825576
2-[4-[methyl-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]phenoxy]acetic acid
CID 136551503
2-[cyclopentyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid
CID 54926515
2-[cyclopropyl-(2,5-dimethylfuran-3-carbonyl)amino]acetic acid
CID 54945910
N-(3-aminopropyl)-N-cyclopentyl-1,3-dimethylpyrazole-4-carboxamide
CID 102801032
2-[cyclopropyl-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]acetic acid
CID 119194742
2-[cyclopropyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]acetic acid
CID 120517676
2-[cyclohexyl-[1-(difluoromethyl)pyrazole-4-carbonyl]amino]acetic acid
CID 136556229
2-[cyclopentyl(2-pyrazol-1-ylpropanoyl)amino]acetic acid
CID 54926658

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclobutyl-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]acetic acid (CID 154740857) is 2-[cyclobutyl-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclobutyl-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclobutyl-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]acetic acid is Cc1nn(C(C)C)cc1C(=O)N(CC(=O)O)C1CCC1.
What is the InChIKey of 2-[cyclobutyl-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]acetic acid?
The InChIKey is GCZMEGAENXRKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9(2)17-7-12(10(3)15-17)14(20)16(8-13(18)19)11-5-4-6-11/h7,9,11H,4-6,8H2,1-3H3,(H,18,19).
What are the key properties of 2-[cyclobutyl-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]acetic acid?
2-[cyclobutyl-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 154740857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).