2-[(1-tert-butylpyrazole-4-carbonyl)-cyclopropylamino]acetic acid

C13H19N3O3 — CID 119194565

IUPAC2-[(1-tert-butylpyrazole-4-carbonyl)-cyclopropylamino]acetic acid
SMILESCC(C)(C)n1cc(C(=O)N(CC(=O)O)C2CC2)cn1
InChIInChI=1S/C13H19N3O3/c1-13(2,3)16-7-9(6-14-16)12(19)15(8-11(17)18)10-4-5-10/h6-7,10H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyCKXDTCUNTAPANN-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.33
Rot. Bonds4

About 2-[(1-tert-butylpyrazole-4-carbonyl)-cyclopropylamino]acetic acid

2-[(1-tert-butylpyrazole-4-carbonyl)-cyclopropylamino]acetic acid (PubChem CID 119194565) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(1-tert-butylpyrazole-4-carbonyl)-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-tert-butylpyrazole-4-carbonyl)-cyclopropylamino]acetic acid
PubChem CID119194565
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[(1-tert-butylpyrazole-4-carbonyl)-cyclopropylamino]acetic acid
SMILESCC(C)(C)n1cc(C(=O)N(CC(=O)O)C2CC2)cn1
InChIInChI=1S/C13H19N3O3/c1-13(2,3)16-7-9(6-14-16)12(19)15(8-11(17)18)10-4-5-10/h6-7,10H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyCKXDTCUNTAPANN-UHFFFAOYSA-N
XLogP1.33
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopentyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid
CID 54926515
2-[benzyl-(1-tert-butylpyrazole-4-carbonyl)amino]acetic acid
CID 75526363
2-[cyclohexyl-[1-(difluoromethyl)pyrazole-4-carbonyl]amino]acetic acid
CID 136556229
2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-cyclopropylamino]acetic acid
CID 119195523
1-tert-butyl-N-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119550148
2-[tert-butyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid
CID 79266390
2-[(5-tert-butylpyridine-2-carbonyl)-cyclopropylamino]acetic acid
CID 122107349
2-[cyclopropyl-(4-methylsulfanylbenzoyl)amino]acetic acid
CID 54946184
2-[cyclopropyl-(3,4-dichlorobenzoyl)amino]acetic acid
CID 54946136
2-[cyclopropyl(1H-pyrazole-4-carbonyl)amino]acetic acid
CID 60825684
1-tert-butylpyrazole-4-carbonyl chloride
CID 130058183
2-[cyclopropyl-(5-hydroxypyridine-3-carbonyl)amino]acetic acid
CID 63852185

Frequently Asked Questions

What is the IUPAC name of 2-[(1-tert-butylpyrazole-4-carbonyl)-cyclopropylamino]acetic acid?
The IUPAC name of 2-[(1-tert-butylpyrazole-4-carbonyl)-cyclopropylamino]acetic acid (CID 119194565) is 2-[(1-tert-butylpyrazole-4-carbonyl)-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[(1-tert-butylpyrazole-4-carbonyl)-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[(1-tert-butylpyrazole-4-carbonyl)-cyclopropylamino]acetic acid is CC(C)(C)n1cc(C(=O)N(CC(=O)O)C2CC2)cn1.
What is the InChIKey of 2-[(1-tert-butylpyrazole-4-carbonyl)-cyclopropylamino]acetic acid?
The InChIKey is CKXDTCUNTAPANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-13(2,3)16-7-9(6-14-16)12(19)15(8-11(17)18)10-4-5-10/h6-7,10H,4-5,8H2,1-3H3,(H,17,18).
What are the key properties of 2-[(1-tert-butylpyrazole-4-carbonyl)-cyclopropylamino]acetic acid?
2-[(1-tert-butylpyrazole-4-carbonyl)-cyclopropylamino]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-tert-butylpyrazole-4-carbonyl)-cyclopropylamino]acetic acid is sourced from PubChem (CID 119194565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).