2-methyl-2-[4-(spiro[2.2]pentane-2-carbonylamino)pyrazol-1-yl]propanoic acid

C13H17N3O3 — CID 122108714

IUPAC2-methyl-2-[4-(spiro[2.2]pentane-2-carbonylamino)pyrazol-1-yl]propanoic acid
SMILESCC(C)(C(=O)O)n1cc(NC(=O)C2CC23CC3)cn1
InChIInChI=1S/C13H17N3O3/c1-12(2,11(18)19)16-7-8(6-14-16)15-10(17)9-5-13(9)3-4-13/h6-7,9H,3-5H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyNDEMMXTWMIVBLN-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.44
Rot. Bonds4

About 2-methyl-2-[4-(spiro[2.2]pentane-2-carbonylamino)pyrazol-1-yl]propanoic acid

2-methyl-2-[4-(spiro[2.2]pentane-2-carbonylamino)pyrazol-1-yl]propanoic acid (PubChem CID 122108714) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-methyl-2-[4-(spiro[2.2]pentane-2-carbonylamino)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-(spiro[2.2]pentane-2-carbonylamino)pyrazol-1-yl]propanoic acid
PubChem CID122108714
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-methyl-2-[4-(spiro[2.2]pentane-2-carbonylamino)pyrazol-1-yl]propanoic acid
SMILESCC(C)(C(=O)O)n1cc(NC(=O)C2CC23CC3)cn1
InChIInChI=1S/C13H17N3O3/c1-12(2,11(18)19)16-7-8(6-14-16)15-10(17)9-5-13(9)3-4-13/h6-7,9H,3-5H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyNDEMMXTWMIVBLN-UHFFFAOYSA-N
XLogP1.44
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-[4-(spiro[2.2]pentane-2-carbonylamino)pyrazol-1-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-tert-butylpyrazol-4-yl)-5-oxaspiro[2.4]heptane-2-carboxamide
CID 127874853
2-[4-[(4,4-difluorocyclohexanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696423
2-[4-[(1-ethylcyclopentanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697765
2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]pyrazol-1-yl]propanoic acid
CID 120697414
2-[4-[(2-cyclohexylacetyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696628
2-[4-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696592
2-methyl-2-[4-[[1-(2-methylpropyl)cyclobutanecarbonyl]amino]pyrazol-1-yl]propanoic acid
CID 120697304
2-[4-[(1-benzylcyclopropanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696283
2-[4-[(4-tert-butylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696583
2-[4-[[2-(cyclopropylmethoxy)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696993
2-[4-(3,4-dihydro-1H-isothiochromene-1-carbonylamino)pyrazol-1-yl]-2-methylpropanoic acid
CID 120696310
2-[4-[(1-benzylcyclobutanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697767

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(spiro[2.2]pentane-2-carbonylamino)pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-(spiro[2.2]pentane-2-carbonylamino)pyrazol-1-yl]propanoic acid (CID 122108714) is 2-methyl-2-[4-(spiro[2.2]pentane-2-carbonylamino)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-(spiro[2.2]pentane-2-carbonylamino)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-(spiro[2.2]pentane-2-carbonylamino)pyrazol-1-yl]propanoic acid is CC(C)(C(=O)O)n1cc(NC(=O)C2CC23CC3)cn1.
What is the InChIKey of 2-methyl-2-[4-(spiro[2.2]pentane-2-carbonylamino)pyrazol-1-yl]propanoic acid?
The InChIKey is NDEMMXTWMIVBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-12(2,11(18)19)16-7-8(6-14-16)15-10(17)9-5-13(9)3-4-13/h6-7,9H,3-5H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-methyl-2-[4-(spiro[2.2]pentane-2-carbonylamino)pyrazol-1-yl]propanoic acid?
2-methyl-2-[4-(spiro[2.2]pentane-2-carbonylamino)pyrazol-1-yl]propanoic acid has a molecular weight of 263.30 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(spiro[2.2]pentane-2-carbonylamino)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 122108714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).