2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)acetic acid

C14H15NO3 — CID 119350169

IUPAC2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)acetic acid
SMILESO=C(O)CNC(=O)C1CC12CCc1ccccc12
InChIInChI=1S/C14H15NO3/c16-12(17)8-15-13(18)11-7-14(11)6-5-9-3-1-2-4-10(9)14/h1-4,11H,5-8H2,(H,15,18)(H,16,17)
InChIKeyJIHNRHZVVJNCTE-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.09
Rot. Bonds3

About 2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)acetic acid

2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)acetic acid (PubChem CID 119350169) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)acetic acid.

Molecular Properties

Compound Name2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)acetic acid
PubChem CID119350169
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)acetic acid
SMILESO=C(O)CNC(=O)C1CC12CCc1ccccc12
InChIInChI=1S/C14H15NO3/c16-12(17)8-15-13(18)11-7-14(11)6-5-9-3-1-2-4-10(9)14/h1-4,11H,5-8H2,(H,15,18)(H,16,17)
InChIKeyJIHNRHZVVJNCTE-UHFFFAOYSA-N
XLogP1.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride
CID 119406914
N-(2-amino-2-ethylbutyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride
CID 119641782
(1'R,3S)-N-(5,5,5-trifluoropentyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 100657709
(2R)-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid
CID 119369980
3-phenyl-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid
CID 120580722
2-cyclopropyl-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)acetic acid
CID 120686692
(1'S,4R)-N-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 97218615
N-(2-piperidin-3-ylethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 119557248
N-(diethylsulfamoyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 154803041
(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
CID 94419963
(1'R,3S)-N-[(1-methylbenzimidazol-2-yl)methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 124608114
3-(4-methylsulfanylphenyl)-3-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid
CID 120688333

Frequently Asked Questions

What is the IUPAC name of 2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)acetic acid?
The IUPAC name of 2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)acetic acid (CID 119350169) is 2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)acetic acid.
What is the SMILES notation for 2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)acetic acid?
The canonical SMILES for 2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)acetic acid is O=C(O)CNC(=O)C1CC12CCc1ccccc12.
What is the InChIKey of 2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)acetic acid?
The InChIKey is JIHNRHZVVJNCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c16-12(17)8-15-13(18)11-7-14(11)6-5-9-3-1-2-4-10(9)14/h1-4,11H,5-8H2,(H,15,18)(H,16,17).
What are the key properties of 2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)acetic acid?
2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)acetic acid has a molecular weight of 245.28 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)acetic acid is sourced from PubChem (CID 119350169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).