methyl (3R)-3-[2-(prop-2-enoxymethyl)pyrrolidine-1-carbonyl]pentanoate

C15H25NO4 — CID 143479480

IUPACmethyl (3R)-3-[2-(prop-2-enoxymethyl)pyrrolidine-1-carbonyl]pentanoate
SMILESC=CCOCC1CCCN1C(=O)[C@H](CC)CC(=O)OC
InChIInChI=1S/C15H25NO4/c1-4-9-20-11-13-7-6-8-16(13)15(18)12(5-2)10-14(17)19-3/h4,12-13H,1,5-11H2,2-3H3/t12-,13?/m1/s1
InChIKeyIOMRYAOFSINIQC-PZORYLMUSA-N
MW283.37 g/mol
LogP1.77
Rot. Bonds8

About methyl (3R)-3-[2-(prop-2-enoxymethyl)pyrrolidine-1-carbonyl]pentanoate

methyl (3R)-3-[2-(prop-2-enoxymethyl)pyrrolidine-1-carbonyl]pentanoate (PubChem CID 143479480) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is methyl (3R)-3-[2-(prop-2-enoxymethyl)pyrrolidine-1-carbonyl]pentanoate.

Molecular Properties

Compound Namemethyl (3R)-3-[2-(prop-2-enoxymethyl)pyrrolidine-1-carbonyl]pentanoate
PubChem CID143479480
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Namemethyl (3R)-3-[2-(prop-2-enoxymethyl)pyrrolidine-1-carbonyl]pentanoate
SMILESC=CCOCC1CCCN1C(=O)[C@H](CC)CC(=O)OC
InChIInChI=1S/C15H25NO4/c1-4-9-20-11-13-7-6-8-16(13)15(18)12(5-2)10-14(17)19-3/h4,12-13H,1,5-11H2,2-3H3/t12-,13?/m1/s1
InChIKeyIOMRYAOFSINIQC-PZORYLMUSA-N
XLogP1.77
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (3S)-3-[(2S)-2-[[(2S)-2-methylpent-4-enoyl]oxymethyl]pyrrolidine-1-carbonyl]hex-5-enoate
CID 118867061
2-ethyl-1-[2-(hydroxymethyl)piperidin-1-yl]butan-1-one
CID 43429060
(2R)-2-chloro-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-one
CID 129499508
methyl 2-prop-2-enylpyrrolidine-1-carboxylate
CID 11062814
methyl 2-[1-(2-aminobutanoyl)piperidin-2-yl]acetate
CID 54916660
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 71355613
[(2S)-1-[(2R)-2-methylpent-4-enoyl]pyrrolidin-2-yl]methyl pent-4-enoate
CID 118867234
(2R)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methoxypent-4-en-1-one
CID 102317392
methyl 2-[1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidin-2-yl]acetate
CID 107471714
2-ethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 110728155
3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-N-(1-hydroxypropan-2-yl)hex-5-enamide
CID 5053054
methyl 2-(4-methoxy-4-oxobutan-2-yl)pyrrolidine-1-carboxylate
CID 102021668

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-[2-(prop-2-enoxymethyl)pyrrolidine-1-carbonyl]pentanoate?
The IUPAC name of methyl (3R)-3-[2-(prop-2-enoxymethyl)pyrrolidine-1-carbonyl]pentanoate (CID 143479480) is methyl (3R)-3-[2-(prop-2-enoxymethyl)pyrrolidine-1-carbonyl]pentanoate.
What is the SMILES notation for methyl (3R)-3-[2-(prop-2-enoxymethyl)pyrrolidine-1-carbonyl]pentanoate?
The canonical SMILES for methyl (3R)-3-[2-(prop-2-enoxymethyl)pyrrolidine-1-carbonyl]pentanoate is C=CCOCC1CCCN1C(=O)[C@H](CC)CC(=O)OC.
What is the InChIKey of methyl (3R)-3-[2-(prop-2-enoxymethyl)pyrrolidine-1-carbonyl]pentanoate?
The InChIKey is IOMRYAOFSINIQC-PZORYLMUSA-N. The full InChI is InChI=1S/C15H25NO4/c1-4-9-20-11-13-7-6-8-16(13)15(18)12(5-2)10-14(17)19-3/h4,12-13H,1,5-11H2,2-3H3/t12-,13?/m1/s1.
What are the key properties of methyl (3R)-3-[2-(prop-2-enoxymethyl)pyrrolidine-1-carbonyl]pentanoate?
methyl (3R)-3-[2-(prop-2-enoxymethyl)pyrrolidine-1-carbonyl]pentanoate has a molecular weight of 283.37 g/mol, XLogP of 1.77, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[2-(prop-2-enoxymethyl)pyrrolidine-1-carbonyl]pentanoate is sourced from PubChem (CID 143479480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).