2-(7-ethoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid

C17H21NO4 — CID 82046695

IUPAC2-(7-ethoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid
SMILESCCOc1ccc2c(c1)OC1(C=C2)CCN(CC(=O)O)CC1
InChIInChI=1S/C17H21NO4/c1-2-21-14-4-3-13-5-6-17(22-15(13)11-14)7-9-18(10-8-17)12-16(19)20/h3-6,11H,2,7-10,12H2,1H3,(H,19,20)
InChIKeyYSZBLQUCSKDPEH-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.41
Rot. Bonds4

About 2-(7-ethoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid

2-(7-ethoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid (PubChem CID 82046695) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-(7-ethoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid.

Molecular Properties

Compound Name2-(7-ethoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid
PubChem CID82046695
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name2-(7-ethoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid
SMILESCCOc1ccc2c(c1)OC1(C=C2)CCN(CC(=O)O)CC1
InChIInChI=1S/C17H21NO4/c1-2-21-14-4-3-13-5-6-17(22-15(13)11-14)7-9-18(10-8-17)12-16(19)20/h3-6,11H,2,7-10,12H2,1H3,(H,19,20)
InChIKeyYSZBLQUCSKDPEH-UHFFFAOYSA-N
XLogP2.41
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid
CID 82046694
2-spiro[chromene-2,4'-piperidine]-1'-ylacetic acid
CID 68981311
2-(5-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid
CID 82046698
2-(6-chlorospiro[chromene-2,3'-pyrrolidine]-1'-yl)acetic acid
CID 82047044
3-(7-ethoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)propanoic acid
CID 82047480
2-(6-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 82279784
3-spiro[chromene-2,3'-pyrrolidine]-1'-ylpropanoic acid
CID 82047094
2-[4-(4-ethoxy-3,5-difluorophenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetic acid;hydrochloride
CID 18770973
2-(6-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)ethanamine
CID 82046777
6-butoxyspiro[chromene-2,4'-piperidine]
CID 82045814
N,N-diethyl-6-phenylspiro[chromene-2,4'-piperidine]-1'-carboxamide
CID 108730414
2-(6-ethoxy-2-methyl-4-oxo-3H-chromen-2-yl)acetic acid
CID 82019251

Frequently Asked Questions

What is the IUPAC name of 2-(7-ethoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid?
The IUPAC name of 2-(7-ethoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid (CID 82046695) is 2-(7-ethoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid.
What is the SMILES notation for 2-(7-ethoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid?
The canonical SMILES for 2-(7-ethoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid is CCOc1ccc2c(c1)OC1(C=C2)CCN(CC(=O)O)CC1.
What is the InChIKey of 2-(7-ethoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid?
The InChIKey is YSZBLQUCSKDPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-2-21-14-4-3-13-5-6-17(22-15(13)11-14)7-9-18(10-8-17)12-16(19)20/h3-6,11H,2,7-10,12H2,1H3,(H,19,20).
What are the key properties of 2-(7-ethoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid?
2-(7-ethoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid has a molecular weight of 303.36 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid is sourced from PubChem (CID 82046695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).