methyl 2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)butanoate

C14H24N2O3 — CID 119035208

IUPACmethyl 2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)butanoate
SMILESCCC(C(=O)OC)C(=O)N1CCC(N2CCCC2)C1
InChIInChI=1S/C14H24N2O3/c1-3-12(14(18)19-2)13(17)16-9-6-11(10-16)15-7-4-5-8-15/h11-12H,3-10H2,1-2H3
InChIKeyQLIRGVSTPPGATN-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.88
Rot. Bonds4

About methyl 2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)butanoate

methyl 2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)butanoate (PubChem CID 119035208) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is methyl 2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)butanoate.

Molecular Properties

Compound Namemethyl 2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)butanoate
PubChem CID119035208
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Namemethyl 2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)butanoate
SMILESCCC(C(=O)OC)C(=O)N1CCC(N2CCCC2)C1
InChIInChI=1S/C14H24N2O3/c1-3-12(14(18)19-2)13(17)16-9-6-11(10-16)15-7-4-5-8-15/h11-12H,3-10H2,1-2H3
InChIKeyQLIRGVSTPPGATN-UHFFFAOYSA-N
XLogP0.88
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(3-piperidin-1-ylpyrrolidine-1-carbonyl)butanethioamide
CID 63514286
2-(aminomethyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-one
CID 63168547
(2R)-2-cyclopentyloxy-1-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]butan-1-one
CID 97213320
2-amino-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one
CID 63167118
(2R)-2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 78925476
2-amino-5-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one
CID 81089522
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carbonyl)-N'-hydroxybutanimidamide
CID 76986616
(2S)-2-amino-1-(3-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one;dihydrochloride
CID 119858299
2-bromo-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 107905215
methyl 2-oxo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)acetate
CID 112617221
N'-hydroxy-2-(4-piperidin-1-ylpiperidine-1-carbonyl)butanimidamide
CID 76925224
2-(ethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63167256

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)butanoate?
The IUPAC name of methyl 2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)butanoate (CID 119035208) is methyl 2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)butanoate.
What is the SMILES notation for methyl 2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)butanoate?
The canonical SMILES for methyl 2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)butanoate is CCC(C(=O)OC)C(=O)N1CCC(N2CCCC2)C1.
What is the InChIKey of methyl 2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)butanoate?
The InChIKey is QLIRGVSTPPGATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-3-12(14(18)19-2)13(17)16-9-6-11(10-16)15-7-4-5-8-15/h11-12H,3-10H2,1-2H3.
What are the key properties of methyl 2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)butanoate?
methyl 2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)butanoate has a molecular weight of 268.36 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)butanoate is sourced from PubChem (CID 119035208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).