cis-(1R,2S)-2-(spiro[2H-indole-3,1'-cyclopropane]-1-carbonyl)cyclopropane-1-carboxylic acid

C15H15NO3 — CID 124727159

IUPACcis-(1R,2S)-2-(spiro[2H-indole-3,1'-cyclopropane]-1-carbonyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H]1C(=O)N1CC2(CC2)c2ccccc21
InChIInChI=1S/C15H15NO3/c17-13(9-7-10(9)14(18)19)16-8-15(5-6-15)11-3-1-2-4-12(11)16/h1-4,9-10H,5-8H2,(H,18,19)/t9-,10+/m0/s1
InChIKeyCOZZUQYZXCJPPG-VHSXEESVSA-N
MW257.29 g/mol
LogP1.79
Rot. Bonds2

About cis-(1R,2S)-2-(spiro[2H-indole-3,1'-cyclopropane]-1-carbonyl)cyclopropane-1-carboxylic acid

cis-(1R,2S)-2-(spiro[2H-indole-3,1'-cyclopropane]-1-carbonyl)cyclopropane-1-carboxylic acid (PubChem CID 124727159) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is cis-(1R,2S)-2-(spiro[2H-indole-3,1'-cyclopropane]-1-carbonyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-(spiro[2H-indole-3,1'-cyclopropane]-1-carbonyl)cyclopropane-1-carboxylic acid
PubChem CID124727159
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Namecis-(1R,2S)-2-(spiro[2H-indole-3,1'-cyclopropane]-1-carbonyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H]1C(=O)N1CC2(CC2)c2ccccc21
InChIInChI=1S/C15H15NO3/c17-13(9-7-10(9)14(18)19)16-8-15(5-6-15)11-3-1-2-4-12(11)16/h1-4,9-10H,5-8H2,(H,18,19)/t9-,10+/m0/s1
InChIKeyCOZZUQYZXCJPPG-VHSXEESVSA-N
XLogP1.79
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cis-(1R,2S)-2-(spiro[2H-indole-3,1'-cyclopropane]-1-carbonyl)cyclopropane-1-carboxylic 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

trans-(1R,2R)-2-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)cyclopropane-1-carboxylic acid
CID 97079075
[(2S,4S)-2-methylpiperidin-4-yl]-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone;hydrochloride
CID 120634057
trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid
CID 7101559
spiro[2H-indole-3,1'-cyclohexane]-1-carboxylic acid
CID 175544645
(9-amino-3-bicyclo[3.3.1]nonanyl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone;hydrochloride
CID 120990522
2-methyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropanoic acid
CID 122065639
spiro[2H-indole-3,1'-cyclopropane]-1-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119328064
phenyl(spiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone
CID 166223400
[(2S,4S)-4-hydroxypyrrolidin-2-yl]-spiro[2H-indole-3,1'-cyclopentane]-1-ylmethanone
CID 124860257
[(2R,4S)-4-hydroxypyrrolidin-2-yl]-spiro[2H-indole-3,1'-cyclopentane]-1-ylmethanone
CID 124860256
1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone
CID 3039209
1'-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylic acid
CID 175853428

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(spiro[2H-indole-3,1'-cyclopropane]-1-carbonyl)cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-(spiro[2H-indole-3,1'-cyclopropane]-1-carbonyl)cyclopropane-1-carboxylic acid (CID 124727159) is cis-(1R,2S)-2-(spiro[2H-indole-3,1'-cyclopropane]-1-carbonyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-(spiro[2H-indole-3,1'-cyclopropane]-1-carbonyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-(spiro[2H-indole-3,1'-cyclopropane]-1-carbonyl)cyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@@H]1C(=O)N1CC2(CC2)c2ccccc21.
What is the InChIKey of cis-(1R,2S)-2-(spiro[2H-indole-3,1'-cyclopropane]-1-carbonyl)cyclopropane-1-carboxylic acid?
The InChIKey is COZZUQYZXCJPPG-VHSXEESVSA-N. The full InChI is InChI=1S/C15H15NO3/c17-13(9-7-10(9)14(18)19)16-8-15(5-6-15)11-3-1-2-4-12(11)16/h1-4,9-10H,5-8H2,(H,18,19)/t9-,10+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(spiro[2H-indole-3,1'-cyclopropane]-1-carbonyl)cyclopropane-1-carboxylic acid?
cis-(1R,2S)-2-(spiro[2H-indole-3,1'-cyclopropane]-1-carbonyl)cyclopropane-1-carboxylic acid has a molecular weight of 257.29 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 cis-(1R,2S)-2-(spiro[2H-indole-3,1'-cyclopropane]-1-carbonyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 124727159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).