1-(cyclobutanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid

C11H17NO3 — CID 63721542

IUPAC1-(cyclobutanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)C2CCC2)CC1C(=O)O
InChIInChI=1S/C11H17NO3/c1-7-5-12(6-9(7)11(14)15)10(13)8-3-2-4-8/h7-9H,2-6H2,1H3,(H,14,15)
InChIKeyFNFPHSNEVJDZOC-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.97
Rot. Bonds2

About 1-(cyclobutanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid

1-(cyclobutanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 63721542) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(cyclobutanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclobutanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid
PubChem CID63721542
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-(cyclobutanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)C2CCC2)CC1C(=O)O
InChIInChI=1S/C11H17NO3/c1-7-5-12(6-9(7)11(14)15)10(13)8-3-2-4-8/h7-9H,2-6H2,1H3,(H,14,15)
InChIKeyFNFPHSNEVJDZOC-UHFFFAOYSA-N
XLogP0.97
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-1-(3-fluorocyclohexanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 122126142
1-(3-aminocyclohexanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721453
(3S,4S)-4-methyl-1-(4-propan-2-ylcyclohexanecarbonyl)pyrrolidine-3-carboxylic acid
CID 120952125
(3S,4S)-1-(1-ethylsulfonylpiperidine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 120953583
2-(3,4-dimethylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103978927
4-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 79750313
cis-(1S,3R)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 124552883
1-(3-fluorocyclohexanecarbonyl)-3-methylpiperidine-4-carboxylic acid
CID 122129406
(3S,4S)-1-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952489
(3S,4S)-4-methyl-1-[1-(2-phenylacetyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 120952273
1-(2-methylcyclopentanecarbonyl)azetidine-3-carboxylic acid
CID 107175545
(3S,4S)-1-(1-butylsulfonylpiperidine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 120952490

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(cyclobutanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid (CID 63721542) is 1-(cyclobutanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(cyclobutanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(cyclobutanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid is CC1CN(C(=O)C2CCC2)CC1C(=O)O.
What is the InChIKey of 1-(cyclobutanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is FNFPHSNEVJDZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-7-5-12(6-9(7)11(14)15)10(13)8-3-2-4-8/h7-9H,2-6H2,1H3,(H,14,15).
What are the key properties of 1-(cyclobutanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid?
1-(cyclobutanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63721542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).