methyl 3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxypropanoate

C11H21NO3 — CID 169177647

IUPACmethyl 3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxypropanoate
SMILESCOC(=O)CCO[C@@H]1CCN(C(C)C)C1
InChIInChI=1S/C11H21NO3/c1-9(2)12-6-4-10(8-12)15-7-5-11(13)14-3/h9-10H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyNZPJEAKVXJRCTA-SNVBAGLBSA-N
MW215.29 g/mol
LogP1.05
Rot. Bonds5

About methyl 3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxypropanoate

methyl 3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxypropanoate (PubChem CID 169177647) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxypropanoate.

Molecular Properties

Compound Namemethyl 3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxypropanoate
PubChem CID169177647
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxypropanoate
SMILESCOC(=O)CCO[C@@H]1CCN(C(C)C)C1
InChIInChI=1S/C11H21NO3/c1-9(2)12-6-4-10(8-12)15-7-5-11(13)14-3/h9-10H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyNZPJEAKVXJRCTA-SNVBAGLBSA-N
XLogP1.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-Propan-2-ylpyrrolidin-3-yl) 2,2-difluoropropanoate
CID 58571505
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-[3-[2-(Dimethylamino)ethoxy]pyrrolidin-1-yl]ethyl propanoate
CID 13049043
Isobutyl 3-isobutoxy-2-(pyrrolidin-1-yl)propanoate
CID 14441423
1-[3-[2-(Dimethylamino)ethoxy]pyrrolidin-1-yl]ethyl propanoate
CID 21333166
(1-Methylpyrrolidin-3-yl) 2,2-dimethylpropanoate
CID 21338865
1-Methylpyrrolidin-3-yl propionate
CID 45088503
(R)-1-Methylpyrrolidin-3-yl propionate
CID 45088505
(1-Ethylpyrrolidin-3-yl) acetate
CID 53833979
3-O-tert-butyl 1-O-ethyl 2-pyrrolidin-1-ylpropanedioate
CID 57036114

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxypropanoate?
The IUPAC name of methyl 3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxypropanoate (CID 169177647) is methyl 3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxypropanoate.
What is the SMILES notation for methyl 3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxypropanoate?
The canonical SMILES for methyl 3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxypropanoate is COC(=O)CCO[C@@H]1CCN(C(C)C)C1.
What is the InChIKey of methyl 3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxypropanoate?
The InChIKey is NZPJEAKVXJRCTA-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H21NO3/c1-9(2)12-6-4-10(8-12)15-7-5-11(13)14-3/h9-10H,4-8H2,1-3H3/t10-/m1/s1.
What are the key properties of methyl 3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxypropanoate?
methyl 3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxypropanoate has a molecular weight of 215.29 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxypropanoate is sourced from PubChem (CID 169177647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).