2-(7,8-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)acetic acid

C16H21NO3 — CID 82047408

IUPAC2-(7,8-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)acetic acid
SMILESCc1ccc2c(c1C)OC1(CC2)CCN(CC(=O)O)C1
InChIInChI=1S/C16H21NO3/c1-11-3-4-13-5-6-16(20-15(13)12(11)2)7-8-17(10-16)9-14(18)19/h3-4H,5-10H2,1-2H3,(H,18,19)
InChIKeyUNRSANVECGQZJO-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.16
Rot. Bonds2

About 2-(7,8-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)acetic acid

2-(7,8-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)acetic acid (PubChem CID 82047408) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(7,8-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)acetic acid.

Molecular Properties

Compound Name2-(7,8-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)acetic acid
PubChem CID82047408
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-(7,8-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)acetic acid
SMILESCc1ccc2c(c1C)OC1(CC2)CCN(CC(=O)O)C1
InChIInChI=1S/C16H21NO3/c1-11-3-4-13-5-6-16(20-15(13)12(11)2)7-8-17(10-16)9-14(18)19/h3-4H,5-10H2,1-2H3,(H,18,19)
InChIKeyUNRSANVECGQZJO-UHFFFAOYSA-N
XLogP2.16
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-ethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)acetic acid
CID 82047405
2-(5,7-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)acetic acid
CID 82046713
3-(7-ethoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)propanoic acid
CID 82047480
1'-(2-chloroacetyl)-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734821
3-spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-6,3'-pyrrolidine]-1'-ylpropanoic acid
CID 82047485
1'-(3-chloropropanoyl)-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758148
2-[2-(7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]isoindole-1,3-dione
CID 108758078
3-(6-chloro-8-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine
CID 82047542
2-(1',7-dimethyl-5-oxospiro[3H-1,4-benzoxazepine-2,4'-piperidine]-4-yl)acetic acid
CID 92559778
2-[(3S)-3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]acetic acid
CID 125146477
2-[(3S)-3-(N-ethylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]acetic acid
CID 124943295
2-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 82279778

Frequently Asked Questions

What is the IUPAC name of 2-(7,8-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)acetic acid?
The IUPAC name of 2-(7,8-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)acetic acid (CID 82047408) is 2-(7,8-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)acetic acid.
What is the SMILES notation for 2-(7,8-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)acetic acid?
The canonical SMILES for 2-(7,8-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)acetic acid is Cc1ccc2c(c1C)OC1(CC2)CCN(CC(=O)O)C1.
What is the InChIKey of 2-(7,8-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)acetic acid?
The InChIKey is UNRSANVECGQZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11-3-4-13-5-6-16(20-15(13)12(11)2)7-8-17(10-16)9-14(18)19/h3-4H,5-10H2,1-2H3,(H,18,19).
What are the key properties of 2-(7,8-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)acetic acid?
2-(7,8-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)acetic acid has a molecular weight of 275.35 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,8-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)acetic acid is sourced from PubChem (CID 82047408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).