1-(3-cyclobutylpropanoyl)-4-methoxypyrrolidine-2-carboxylic acid

C13H21NO4 — CID 120534374

IUPAC1-(3-cyclobutylpropanoyl)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)CCC2CCC2)C1
InChIInChI=1S/C13H21NO4/c1-18-10-7-11(13(16)17)14(8-10)12(15)6-5-9-3-2-4-9/h9-11H,2-8H2,1H3,(H,16,17)
InChIKeyYVIXCHCJOWUIKI-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.27
Rot. Bonds5

About 1-(3-cyclobutylpropanoyl)-4-methoxypyrrolidine-2-carboxylic acid

1-(3-cyclobutylpropanoyl)-4-methoxypyrrolidine-2-carboxylic acid (PubChem CID 120534374) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-(3-cyclobutylpropanoyl)-4-methoxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyclobutylpropanoyl)-4-methoxypyrrolidine-2-carboxylic acid
PubChem CID120534374
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name1-(3-cyclobutylpropanoyl)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)CCC2CCC2)C1
InChIInChI=1S/C13H21NO4/c1-18-10-7-11(13(16)17)14(8-10)12(15)6-5-9-3-2-4-9/h9-11H,2-8H2,1H3,(H,16,17)
InChIKeyYVIXCHCJOWUIKI-UHFFFAOYSA-N
XLogP1.27
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclobutylmethylcarbamoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 61197043
4-methoxy-1-nonanoylpyrrolidine-2-carboxylic acid
CID 43359772
1-(3-acetamidopropanoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43359652
1-(3-cyclopentylpropanoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421123
(2S,4S)-1-(4-acetylsulfanylbutanoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 54469246
1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 24704808
1-(6-acetamidohexanoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43359689
(2R,4S)-4-methoxy-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid
CID 93310397
ethane;(2S,4S)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 171535084
1-[2-(dimethylamino)ethyl-methylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 63700451
1-[2-[(2-aminoacetyl)amino]acetyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 61159252
4-methoxy-1-(piperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61180946

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylpropanoyl)-4-methoxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-cyclobutylpropanoyl)-4-methoxypyrrolidine-2-carboxylic acid (CID 120534374) is 1-(3-cyclobutylpropanoyl)-4-methoxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-cyclobutylpropanoyl)-4-methoxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-cyclobutylpropanoyl)-4-methoxypyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(C(=O)CCC2CCC2)C1.
What is the InChIKey of 1-(3-cyclobutylpropanoyl)-4-methoxypyrrolidine-2-carboxylic acid?
The InChIKey is YVIXCHCJOWUIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-18-10-7-11(13(16)17)14(8-10)12(15)6-5-9-3-2-4-9/h9-11H,2-8H2,1H3,(H,16,17).
What are the key properties of 1-(3-cyclobutylpropanoyl)-4-methoxypyrrolidine-2-carboxylic acid?
1-(3-cyclobutylpropanoyl)-4-methoxypyrrolidine-2-carboxylic acid has a molecular weight of 255.31 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylpropanoyl)-4-methoxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 120534374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).