4-methoxy-1-nonanoylpyrrolidine-2-carboxylic acid

C15H27NO4 — CID 43359772

IUPAC4-methoxy-1-nonanoylpyrrolidine-2-carboxylic acid
SMILESCCCCCCCCC(=O)N1CC(OC)CC1C(=O)O
InChIInChI=1S/C15H27NO4/c1-3-4-5-6-7-8-9-14(17)16-11-12(20-2)10-13(16)15(18)19/h12-13H,3-11H2,1-2H3,(H,18,19)
InChIKeyYTEXFZICYMMVDD-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.44
Rot. Bonds9

About 4-methoxy-1-nonanoylpyrrolidine-2-carboxylic acid

4-methoxy-1-nonanoylpyrrolidine-2-carboxylic acid (PubChem CID 43359772) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 4-methoxy-1-nonanoylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-nonanoylpyrrolidine-2-carboxylic acid
PubChem CID43359772
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name4-methoxy-1-nonanoylpyrrolidine-2-carboxylic acid
SMILESCCCCCCCCC(=O)N1CC(OC)CC1C(=O)O
InChIInChI=1S/C15H27NO4/c1-3-4-5-6-7-8-9-14(17)16-11-12(20-2)10-13(16)15(18)19/h12-13H,3-11H2,1-2H3,(H,18,19)
InChIKeyYTEXFZICYMMVDD-UHFFFAOYSA-N
XLogP2.44
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-hexadecanoyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 3925551
(2S)-4-hydroxy-1-icosanoylpyrrolidine-2-carboxylic acid
CID 57258190
1-docosanoyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 78122778
1-(6-acetamidohexanoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43359689
(2S,4R)-4-hydroxy-1-octadecanoylpyrrolidine-2-carboxylic acid;methanol
CID 175485111
(2S,4S)-1-(4-acetylsulfanylbutanoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 54469246
1-(2-aminohexanoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 61159250
1-(3-cyclobutylpropanoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 120534374
1-(3-acetamidopropanoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43359652
[(2S,4R)-1-hexadecanoyl-4-methoxypyrrolidin-2-yl]methyl hypoiodite
CID 156850282
1-[butyl(cyclopropyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 61443374
1-[(2S)-2-aminopentanoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 107569128

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-nonanoylpyrrolidine-2-carboxylic acid?
The IUPAC name of 4-methoxy-1-nonanoylpyrrolidine-2-carboxylic acid (CID 43359772) is 4-methoxy-1-nonanoylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-nonanoylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-methoxy-1-nonanoylpyrrolidine-2-carboxylic acid is CCCCCCCCC(=O)N1CC(OC)CC1C(=O)O.
What is the InChIKey of 4-methoxy-1-nonanoylpyrrolidine-2-carboxylic acid?
The InChIKey is YTEXFZICYMMVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-3-4-5-6-7-8-9-14(17)16-11-12(20-2)10-13(16)15(18)19/h12-13H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 4-methoxy-1-nonanoylpyrrolidine-2-carboxylic acid?
4-methoxy-1-nonanoylpyrrolidine-2-carboxylic acid has a molecular weight of 285.38 g/mol, XLogP of 2.44, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-nonanoylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43359772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).