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

C17H19NO3 — CID 120686692

IUPAC2-cyclopropyl-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)acetic acid
SMILESO=C(O)C(NC(=O)C1CC12CCc1ccccc12)C1CC1
InChIInChI=1S/C17H19NO3/c19-15(18-14(16(20)21)11-5-6-11)13-9-17(13)8-7-10-3-1-2-4-12(10)17/h1-4,11,13-14H,5-9H2,(H,18,19)(H,20,21)
InChIKeyLHBCWFOGRSDKND-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.87
Rot. Bonds4

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

2-cyclopropyl-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)acetic acid (PubChem CID 120686692) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-cyclopropyl-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)acetic acid
PubChem CID120686692
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-cyclopropyl-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)acetic acid
SMILESO=C(O)C(NC(=O)C1CC12CCc1ccccc12)C1CC1
InChIInChI=1S/C17H19NO3/c19-15(18-14(16(20)21)11-5-6-11)13-9-17(13)8-7-10-3-1-2-4-12(10)17/h1-4,11,13-14H,5-9H2,(H,18,19)(H,20,21)
InChIKeyLHBCWFOGRSDKND-UHFFFAOYSA-N
XLogP1.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(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-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)acetic acid
CID 119350169
3-(4-methylsulfanylphenyl)-3-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid
CID 120688333
(1'S,4R)-N-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 97218615
N-(1-aminohexan-2-yl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride
CID 119666795
N-[1-(2,5-difluorophenyl)-2,2-difluoroethyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 154864359
N-piperidin-3-ylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 119426712
(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
CID 94419963
N-(3-aminopropyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride
CID 119406914
N-[2-(aminomethyl)cyclopentyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 119602905
N-(1-amino-2,3-dimethylbutan-2-yl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 119607246

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)acetic acid (CID 120686692) is 2-cyclopropyl-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)acetic acid is O=C(O)C(NC(=O)C1CC12CCc1ccccc12)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)acetic acid?
The InChIKey is LHBCWFOGRSDKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c19-15(18-14(16(20)21)11-5-6-11)13-9-17(13)8-7-10-3-1-2-4-12(10)17/h1-4,11,13-14H,5-9H2,(H,18,19)(H,20,21).
What are the key properties of 2-cyclopropyl-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)acetic acid?
2-cyclopropyl-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)acetic acid has a molecular weight of 285.34 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)acetic acid is sourced from PubChem (CID 120686692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).