methyl 3-[(3R)-1-methylpyrrolidin-3-yl]oxypropanoate

C9H17NO3 — CID 178108094

IUPACmethyl 3-[(3R)-1-methylpyrrolidin-3-yl]oxypropanoate
SMILESCOC(=O)CCO[C@@H]1CCN(C)C1
InChIInChI=1S/C9H17NO3/c1-10-5-3-8(7-10)13-6-4-9(11)12-2/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyAXRXVPPCZKCINB-MRVPVSSYSA-N
MW187.24 g/mol
LogP0.27
Rot. Bonds4

About methyl 3-[(3R)-1-methylpyrrolidin-3-yl]oxypropanoate

methyl 3-[(3R)-1-methylpyrrolidin-3-yl]oxypropanoate (PubChem CID 178108094) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl 3-[(3R)-1-methylpyrrolidin-3-yl]oxypropanoate.

Molecular Properties

Compound Namemethyl 3-[(3R)-1-methylpyrrolidin-3-yl]oxypropanoate
PubChem CID178108094
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl 3-[(3R)-1-methylpyrrolidin-3-yl]oxypropanoate
SMILESCOC(=O)CCO[C@@H]1CCN(C)C1
InChIInChI=1S/C9H17NO3/c1-10-5-3-8(7-10)13-6-4-9(11)12-2/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyAXRXVPPCZKCINB-MRVPVSSYSA-N
XLogP0.27
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Acetylpyrrolidinecholine
CID 6452992
(3S)-1-(2-fluoroethyl)-3-acetoxypyrrolidine
CID 86614898
Trimethyl-[2-[3-(1-methylpyrrolidin-1-ium-1-yl)propanoyloxy]ethyl]azanium
CID 216717
(3R)-1-(2-Fluoroethyl)-3-pyrrolidinyl acetate
CID 45091176
Ethyl 2,3-dimethyl-1,3-oxazolidine-2-acetate
CID 567753
[(3R)-1-methylpyrrolidin-3-yl] butanoate
CID 10130169
[(3S)-1-methylpyrrolidin-3-yl] butanoate
CID 10130170
2-(Pyrrolidin-1-yl)ethyl 3-oxobutanoate
CID 12529171
2-[3-[2-(Dimethylamino)ethoxy]pyrrolidin-1-yl]ethyl propanoate
CID 13049043
[1-(2-Methylpropyl)pyrrolidin-3-yl] acetate
CID 20672252
1-[3-[2-(Dimethylamino)ethoxy]pyrrolidin-1-yl]ethyl propanoate
CID 21333166
(1-Methylpyrrolidin-3-yl) 2,2-dimethylpropanoate
CID 21338865

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3R)-1-methylpyrrolidin-3-yl]oxypropanoate?
The IUPAC name of methyl 3-[(3R)-1-methylpyrrolidin-3-yl]oxypropanoate (CID 178108094) is methyl 3-[(3R)-1-methylpyrrolidin-3-yl]oxypropanoate.
What is the SMILES notation for methyl 3-[(3R)-1-methylpyrrolidin-3-yl]oxypropanoate?
The canonical SMILES for methyl 3-[(3R)-1-methylpyrrolidin-3-yl]oxypropanoate is COC(=O)CCO[C@@H]1CCN(C)C1.
What is the InChIKey of methyl 3-[(3R)-1-methylpyrrolidin-3-yl]oxypropanoate?
The InChIKey is AXRXVPPCZKCINB-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-10-5-3-8(7-10)13-6-4-9(11)12-2/h8H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of methyl 3-[(3R)-1-methylpyrrolidin-3-yl]oxypropanoate?
methyl 3-[(3R)-1-methylpyrrolidin-3-yl]oxypropanoate has a molecular weight of 187.24 g/mol, XLogP of 0.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3R)-1-methylpyrrolidin-3-yl]oxypropanoate is sourced from PubChem (CID 178108094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).