(2R)-1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidine-2-carboxylic acid

C18H21NO3 — CID 120689782

IUPAC(2R)-1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)C1CC12CCc1ccccc12
InChIInChI=1S/C18H21NO3/c20-16(19-10-4-3-7-15(19)17(21)22)14-11-18(14)9-8-12-5-1-2-6-13(12)18/h1-2,5-6,14-15H,3-4,7-11H2,(H,21,22)/t14?,15-,18?/m1/s1
InChIKeyRFBWYRNPKICICX-SWKXRBFHSA-N
MW299.37 g/mol
LogP2.36
Rot. Bonds2

About (2R)-1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidine-2-carboxylic acid

(2R)-1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidine-2-carboxylic acid (PubChem CID 120689782) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2R)-1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidine-2-carboxylic acid
PubChem CID120689782
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name(2R)-1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)C1CC12CCc1ccccc12
InChIInChI=1S/C18H21NO3/c20-16(19-10-4-3-7-15(19)17(21)22)14-11-18(14)9-8-12-5-1-2-6-13(12)18/h1-2,5-6,14-15H,3-4,7-11H2,(H,21,22)/t14?,15-,18?/m1/s1
InChIKeyRFBWYRNPKICICX-SWKXRBFHSA-N
XLogP2.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[[1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120579007
3-amino-N-[[1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579006
[(2S)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl]piperidin-2-yl]methylurea
CID 100615038
(2S)-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperidine-2-carboxylic acid
CID 107126335
(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
CID 94419963
(2R)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 106892375
(3S,4S)-4-methyl-1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952248
[3-(methylamino)piperidin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone;hydrochloride
CID 119490666
(3-hydroxypiperidin-1-yl)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethanone
CID 111477051
(2,3-dimethylpiperazin-1-yl)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethanone;hydrochloride
CID 120572403
1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]piperidine-2-carboxylic acid
CID 61158469
1-(3,4-dihydro-1H-isochromene-1-carbonyl)piperidine-2-carboxylic acid
CID 60983754

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidine-2-carboxylic acid (CID 120689782) is (2R)-1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidine-2-carboxylic acid is O=C(O)[C@H]1CCCCN1C(=O)C1CC12CCc1ccccc12.
What is the InChIKey of (2R)-1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is RFBWYRNPKICICX-SWKXRBFHSA-N. The full InChI is InChI=1S/C18H21NO3/c20-16(19-10-4-3-7-15(19)17(21)22)14-11-18(14)9-8-12-5-1-2-6-13(12)18/h1-2,5-6,14-15H,3-4,7-11H2,(H,21,22)/t14?,15-,18?/m1/s1.
What are the key properties of (2R)-1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidine-2-carboxylic acid?
(2R)-1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 120689782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).