2-(4-amino-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-yl)acetic acid

C17H23NO3 — CID 90907423

IUPAC2-(4-amino-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-yl)acetic acid
SMILESCc1c(C)c2c(c(C)c1CC(=O)O)C(N)CC1(CCC1)O2
InChIInChI=1S/C17H23NO3/c1-9-10(2)16-15(11(3)12(9)7-14(19)20)13(18)8-17(21-16)5-4-6-17/h13H,4-8,18H2,1-3H3,(H,19,20)
InChIKeyKPUFCLIVFMJCNJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.94
Rot. Bonds2

About 2-(4-amino-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-yl)acetic acid

2-(4-amino-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-yl)acetic acid (PubChem CID 90907423) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(4-amino-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-yl)acetic acid.

Molecular Properties

Compound Name2-(4-amino-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-yl)acetic acid
PubChem CID90907423
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name2-(4-amino-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-yl)acetic acid
SMILESCc1c(C)c2c(c(C)c1CC(=O)O)C(N)CC1(CCC1)O2
InChIInChI=1S/C17H23NO3/c1-9-10(2)16-15(11(3)12(9)7-14(19)20)13(18)8-17(21-16)5-4-6-17/h13H,4-8,18H2,1-3H3,(H,19,20)
InChIKeyKPUFCLIVFMJCNJ-UHFFFAOYSA-N
XLogP2.94
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-yl)acetic acid?
The IUPAC name of 2-(4-amino-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-yl)acetic acid (CID 90907423) is 2-(4-amino-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-yl)acetic acid.
What is the SMILES notation for 2-(4-amino-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-yl)acetic acid?
The canonical SMILES for 2-(4-amino-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-yl)acetic acid is Cc1c(C)c2c(c(C)c1CC(=O)O)C(N)CC1(CCC1)O2.
What is the InChIKey of 2-(4-amino-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-yl)acetic acid?
The InChIKey is KPUFCLIVFMJCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-9-10(2)16-15(11(3)12(9)7-14(19)20)13(18)8-17(21-16)5-4-6-17/h13H,4-8,18H2,1-3H3,(H,19,20).
What are the key properties of 2-(4-amino-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-yl)acetic acid?
2-(4-amino-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-yl)acetic acid has a molecular weight of 289.38 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-yl)acetic acid is sourced from PubChem (CID 90907423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).