1-(3-cyclobutylpropanoyl)pyrrolidine-3-carboxylic acid

C12H19NO3 — CID 119355276

IUPAC1-(3-cyclobutylpropanoyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CCC2CCC2)C1
InChIInChI=1S/C12H19NO3/c14-11(5-4-9-2-1-3-9)13-7-6-10(8-13)12(15)16/h9-10H,1-8H2,(H,15,16)
InChIKeyRRJMVEFCVYGNRS-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.50
Rot. Bonds4

About 1-(3-cyclobutylpropanoyl)pyrrolidine-3-carboxylic acid

1-(3-cyclobutylpropanoyl)pyrrolidine-3-carboxylic acid (PubChem CID 119355276) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(3-cyclobutylpropanoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyclobutylpropanoyl)pyrrolidine-3-carboxylic acid
PubChem CID119355276
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-(3-cyclobutylpropanoyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CCC2CCC2)C1
InChIInChI=1S/C12H19NO3/c14-11(5-4-9-2-1-3-9)13-7-6-10(8-13)12(15)16/h9-10H,1-8H2,(H,15,16)
InChIKeyRRJMVEFCVYGNRS-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxylic acid
CID 81125925
1-(4-cyclohexylbutanoyl)piperidine-4-carboxylic acid
CID 43354138
(2R)-4-(3-cyclobutylpropanoyl)morpholine-2-carboxylic acid
CID 129397543
1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 57094658
1-(3-cyclohexylpropanoyl)piperidine-4-carboxamide
CID 17312024
4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673013
1-(2-cyclopropylacetyl)pyrrolidine-3-carboxylic acid
CID 63007289
1-pent-4-enoylpyrrolidine-3-carboxylic acid
CID 63030781
1-(3-methoxypropanoyl)pyrrolidine-3-carboxylic acid
CID 63030606
1-[(3R)-3-aminopiperidin-1-yl]-3-cyclohexylpropan-1-one
CID 102978602
3-cyclopentyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one
CID 81424634
3-cyclobutyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one
CID 120996967

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylpropanoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-cyclobutylpropanoyl)pyrrolidine-3-carboxylic acid (CID 119355276) is 1-(3-cyclobutylpropanoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-cyclobutylpropanoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-cyclobutylpropanoyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)CCC2CCC2)C1.
What is the InChIKey of 1-(3-cyclobutylpropanoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is RRJMVEFCVYGNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c14-11(5-4-9-2-1-3-9)13-7-6-10(8-13)12(15)16/h9-10H,1-8H2,(H,15,16).
What are the key properties of 1-(3-cyclobutylpropanoyl)pyrrolidine-3-carboxylic acid?
1-(3-cyclobutylpropanoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 225.29 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylpropanoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119355276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).