2-(5-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid

C16H19NO4 — CID 82046698

IUPAC2-(5-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid
SMILESCOc1cccc2c1C=CC1(CCN(CC(=O)O)CC1)O2
InChIInChI=1S/C16H19NO4/c1-20-13-3-2-4-14-12(13)5-6-16(21-14)7-9-17(10-8-16)11-15(18)19/h2-6H,7-11H2,1H3,(H,18,19)
InChIKeyCJIFYIQLEAVNKV-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.02
Rot. Bonds3

About 2-(5-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid

2-(5-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid (PubChem CID 82046698) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-(5-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid
PubChem CID82046698
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name2-(5-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid
SMILESCOc1cccc2c1C=CC1(CCN(CC(=O)O)CC1)O2
InChIInChI=1S/C16H19NO4/c1-20-13-3-2-4-14-12(13)5-6-16(21-14)7-9-17(10-8-16)11-15(18)19/h2-6H,7-11H2,1H3,(H,18,19)
InChIKeyCJIFYIQLEAVNKV-UHFFFAOYSA-N
XLogP2.02
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-spiro[chromene-2,4'-piperidine]-1'-ylacetic acid
CID 68981311
2-(7-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid
CID 82046694
2-(7-ethoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid
CID 82046695
2-(6-chlorospiro[chromene-2,3'-pyrrolidine]-1'-yl)acetic acid
CID 82047044
3-spiro[chromene-2,3'-pyrrolidine]-1'-ylpropanoic acid
CID 82047094
2-[4-(3-fluoro-4-propan-2-yloxyphenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetic acid;hydrochloride
CID 18771004
2-[4-(2-fluoro-6-methoxybenzoyl)piperazin-1-yl]acetic acid
CID 65434176
2-[4-(3-fluorophenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetic acid
CID 18770956
2-[4-(4-ethoxy-3,5-difluorophenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetic acid;hydrochloride
CID 18770973
1'-benzylspiro[chromene-2,4'-piperidine]
CID 12887958
2-[4-[4-[methyl(methylsulfonyl)amino]phenyl]spiro[chromene-2,4'-piperidine]-1'-yl]acetic acid;hydrochloride
CID 69252509
2-propan-2-yloxy-1-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]ethanone
CID 95122993

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid?
The IUPAC name of 2-(5-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid (CID 82046698) is 2-(5-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid.
What is the SMILES notation for 2-(5-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid?
The canonical SMILES for 2-(5-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid is COc1cccc2c1C=CC1(CCN(CC(=O)O)CC1)O2.
What is the InChIKey of 2-(5-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid?
The InChIKey is CJIFYIQLEAVNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-20-13-3-2-4-14-12(13)5-6-16(21-14)7-9-17(10-8-16)11-15(18)19/h2-6H,7-11H2,1H3,(H,18,19).
What are the key properties of 2-(5-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid?
2-(5-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid has a molecular weight of 289.33 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid is sourced from PubChem (CID 82046698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).