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

C16H19NO4 — CID 82046694

IUPAC2-(7-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid
SMILESCOc1ccc2c(c1)OC1(C=C2)CCN(CC(=O)O)CC1
InChIInChI=1S/C16H19NO4/c1-20-13-3-2-12-4-5-16(21-14(12)10-13)6-8-17(9-7-16)11-15(18)19/h2-5,10H,6-9,11H2,1H3,(H,18,19)
InChIKeyXSGMBKJXNHJTGG-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.02
Rot. Bonds3

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

2-(7-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid (PubChem CID 82046694) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-(7-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid.

Molecular Properties

Compound Name2-(7-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid
PubChem CID82046694
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name2-(7-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid
SMILESCOc1ccc2c(c1)OC1(C=C2)CCN(CC(=O)O)CC1
InChIInChI=1S/C16H19NO4/c1-20-13-3-2-12-4-5-16(21-14(12)10-13)6-8-17(9-7-16)11-15(18)19/h2-5,10H,6-9,11H2,1H3,(H,18,19)
InChIKeyXSGMBKJXNHJTGG-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-(7-ethoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid
CID 82046695
2-spiro[chromene-2,4'-piperidine]-1'-ylacetic acid
CID 68981311
2-(5-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid
CID 82046698
7-methoxyspiro[chromene-2,1'-cycloheptane]
CID 15081060
2-(6-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)ethanamine
CID 82046777
2-(6-chlorospiro[chromene-2,3'-pyrrolidine]-1'-yl)acetic acid
CID 82047044
2-(6-chlorospiro[chromene-2,4'-piperidine]-1'-yl)-1-(2,4-dimethoxyphenyl)ethanol
CID 110222646
3-spiro[chromene-2,3'-pyrrolidine]-1'-ylpropanoic acid
CID 82047094
2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 18759834
2-(8-methoxy-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetic acid
CID 118760279
2-[4-[(2-hydroxy-5-methoxyphenyl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 65061405
1-[4-[2-(6,7-dimethylspiro[chromene-2,4'-piperidine]-1'-yl)acetyl]phenyl]pyrrolidin-2-one
CID 92554884

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid?
The IUPAC name of 2-(7-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid (CID 82046694) is 2-(7-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid.
What is the SMILES notation for 2-(7-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid?
The canonical SMILES for 2-(7-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid is COc1ccc2c(c1)OC1(C=C2)CCN(CC(=O)O)CC1.
What is the InChIKey of 2-(7-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid?
The InChIKey is XSGMBKJXNHJTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-20-13-3-2-12-4-5-16(21-14(12)10-13)6-8-17(9-7-16)11-15(18)19/h2-5,10H,6-9,11H2,1H3,(H,18,19).
What are the key properties of 2-(7-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid?
2-(7-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-(7-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid is sourced from PubChem (CID 82046694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).