1-[1-(2,3,4-trimethoxyphenyl)pentyl]pyrrolidine-2-carboxylic acid

C19H29NO5 — CID 3970545

IUPAC1-[1-(2,3,4-trimethoxyphenyl)pentyl]pyrrolidine-2-carboxylic acid
SMILESCCCCC(c1ccc(OC)c(OC)c1OC)N1CCCC1C(=O)O
InChIInChI=1S/C19H29NO5/c1-5-6-8-14(20-12-7-9-15(20)19(21)22)13-10-11-16(23-2)18(25-4)17(13)24-3/h10-11,14-15H,5-9,12H2,1-4H3,(H,21,22)
InChIKeyYKRVIXHNHBWKCC-UHFFFAOYSA-N
MW351.44 g/mol
LogP3.49
Rot. Bonds9

About 1-[1-(2,3,4-trimethoxyphenyl)pentyl]pyrrolidine-2-carboxylic acid

1-[1-(2,3,4-trimethoxyphenyl)pentyl]pyrrolidine-2-carboxylic acid (PubChem CID 3970545) has the molecular formula C19H29NO5 and a molecular weight of 351.44 g/mol. Its IUPAC name is 1-[1-(2,3,4-trimethoxyphenyl)pentyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2,3,4-trimethoxyphenyl)pentyl]pyrrolidine-2-carboxylic acid
PubChem CID3970545
Molecular FormulaC19H29NO5
Molecular Weight351.44 g/mol
Exact Mass351.20
IUPAC Name1-[1-(2,3,4-trimethoxyphenyl)pentyl]pyrrolidine-2-carboxylic acid
SMILESCCCCC(c1ccc(OC)c(OC)c1OC)N1CCCC1C(=O)O
InChIInChI=1S/C19H29NO5/c1-5-6-8-14(20-12-7-9-15(20)19(21)22)13-10-11-16(23-2)18(25-4)17(13)24-3/h10-11,14-15H,5-9,12H2,1-4H3,(H,21,22)
InChIKeyYKRVIXHNHBWKCC-UHFFFAOYSA-N
XLogP3.49
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(5-chloro-2-methoxyphenyl)pentyl]pyrrolidine-2-carboxylic acid
CID 5027526
1-[(2,3-dichlorophenyl)-(2,3,4-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3970544
1-[1-benzothiophen-3-yl-(2,3,4-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 4041032
1-[1-(4-bromophenyl)pentyl]pyrrolidine-2-carboxylic acid
CID 4650051
1-[1-(2,3-dimethoxyphenyl)pentyl]piperidine-3-carboxylic acid
CID 3979028
1-[1-(5-chloro-2-methoxyphenyl)propyl]pyrrolidine-2-carboxylic acid
CID 3961449
1-[1-(2,3-dichlorophenyl)pentyl]piperidine-2-carboxylic acid
CID 3949304
1-[1-(5-fluoro-2-methoxyphenyl)propyl]pyrrolidine-2-carboxylic acid
CID 4640859
1-[(3-methylphenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3350055
1-[(5-methyl-2-pyridinyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3966294
1-[1-(3-methyl-4-pyridinyl)pentyl]piperidine-2-carboxylic acid
CID 4637920
1-[1-(2,5-dimethoxyphenyl)propyl]piperidine-2-carboxylic acid
CID 4559409

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3,4-trimethoxyphenyl)pentyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(2,3,4-trimethoxyphenyl)pentyl]pyrrolidine-2-carboxylic acid (CID 3970545) is 1-[1-(2,3,4-trimethoxyphenyl)pentyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(2,3,4-trimethoxyphenyl)pentyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(2,3,4-trimethoxyphenyl)pentyl]pyrrolidine-2-carboxylic acid is CCCCC(c1ccc(OC)c(OC)c1OC)N1CCCC1C(=O)O.
What is the InChIKey of 1-[1-(2,3,4-trimethoxyphenyl)pentyl]pyrrolidine-2-carboxylic acid?
The InChIKey is YKRVIXHNHBWKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO5/c1-5-6-8-14(20-12-7-9-15(20)19(21)22)13-10-11-16(23-2)18(25-4)17(13)24-3/h10-11,14-15H,5-9,12H2,1-4H3,(H,21,22).
What are the key properties of 1-[1-(2,3,4-trimethoxyphenyl)pentyl]pyrrolidine-2-carboxylic acid?
1-[1-(2,3,4-trimethoxyphenyl)pentyl]pyrrolidine-2-carboxylic acid has a molecular weight of 351.44 g/mol, XLogP of 3.49, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3,4-trimethoxyphenyl)pentyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 3970545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).