2-methyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropanoic acid

C14H15NO3 — CID 122065639

IUPAC2-methyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropanoic acid
SMILESCC(C(=O)O)C(=O)N1CC2(CC2)c2ccccc21
InChIInChI=1S/C14H15NO3/c1-9(13(17)18)12(16)15-8-14(6-7-14)10-4-2-3-5-11(10)15/h2-5,9H,6-8H2,1H3,(H,17,18)
InChIKeyIYPCBKAJCQJBAL-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.79
Rot. Bonds2

About 2-methyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropanoic acid

2-methyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropanoic acid (PubChem CID 122065639) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-methyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropanoic acid.

Molecular Properties

Compound Name2-methyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropanoic acid
PubChem CID122065639
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-methyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropanoic acid
SMILESCC(C(=O)O)C(=O)N1CC2(CC2)c2ccccc21
InChIInChI=1S/C14H15NO3/c1-9(13(17)18)12(16)15-8-14(6-7-14)10-4-2-3-5-11(10)15/h2-5,9H,6-8H2,1H3,(H,17,18)
InChIKeyIYPCBKAJCQJBAL-UHFFFAOYSA-N
XLogP1.79
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-methyl-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one;hydrochloride
CID 120501177
spiro[2H-indole-3,1'-cyclohexane]-1-carboxylic acid
CID 175544645
2-amino-3-methoxy-1-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropan-1-one;hydrochloride
CID 120990520
1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone
CID 3039209
1'-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylic acid
CID 175853428
phenyl(spiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone
CID 166223400
1'-tert-butylspiro[2H-indole-3,4'-piperidine]-1-carboxylic acid
CID 67540864
cis-(1R,2S)-2-(spiro[2H-indole-3,1'-cyclopropane]-1-carbonyl)cyclopropane-1-carboxylic acid
CID 124727159
N-(3-hydroxy-2-methylpropyl)-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide
CID 111444365
N-(1-methylsulfonylpropan-2-yl)spiro[2H-indole-3,1'-cyclopropane]-1-carboxamide
CID 167857598
1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one
CID 110750758
N-(3-hydroxy-4-methylpentyl)-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide
CID 111490805

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropanoic acid?
The IUPAC name of 2-methyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropanoic acid (CID 122065639) is 2-methyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropanoic acid.
What is the SMILES notation for 2-methyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropanoic acid?
The canonical SMILES for 2-methyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropanoic acid is CC(C(=O)O)C(=O)N1CC2(CC2)c2ccccc21.
What is the InChIKey of 2-methyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropanoic acid?
The InChIKey is IYPCBKAJCQJBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9(13(17)18)12(16)15-8-14(6-7-14)10-4-2-3-5-11(10)15/h2-5,9H,6-8H2,1H3,(H,17,18).
What are the key properties of 2-methyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropanoic acid?
2-methyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropanoic acid has a molecular weight of 245.28 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropanoic acid is sourced from PubChem (CID 122065639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).