ethyl 3-methoxy-3-[1-(3-methoxypropanoyl)pyrrolidin-2-yl]-2-methylpropanoate

C15H27NO5 — CID 169183620

IUPACethyl 3-methoxy-3-[1-(3-methoxypropanoyl)pyrrolidin-2-yl]-2-methylpropanoate
SMILESCCOC(=O)C(C)C(OC)C1CCCN1C(=O)CCOC
InChIInChI=1S/C15H27NO5/c1-5-21-15(18)11(2)14(20-4)12-7-6-9-16(12)13(17)8-10-19-3/h11-12,14H,5-10H2,1-4H3
InChIKeyRUZZACQKCJYLBP-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.23
Rot. Bonds8

About ethyl 3-methoxy-3-[1-(3-methoxypropanoyl)pyrrolidin-2-yl]-2-methylpropanoate

ethyl 3-methoxy-3-[1-(3-methoxypropanoyl)pyrrolidin-2-yl]-2-methylpropanoate (PubChem CID 169183620) has the molecular formula C15H27NO5 and a molecular weight of 301.38 g/mol. Its IUPAC name is ethyl 3-methoxy-3-[1-(3-methoxypropanoyl)pyrrolidin-2-yl]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-methoxy-3-[1-(3-methoxypropanoyl)pyrrolidin-2-yl]-2-methylpropanoate
PubChem CID169183620
Molecular FormulaC15H27NO5
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC Nameethyl 3-methoxy-3-[1-(3-methoxypropanoyl)pyrrolidin-2-yl]-2-methylpropanoate
SMILESCCOC(=O)C(C)C(OC)C1CCCN1C(=O)CCOC
InChIInChI=1S/C15H27NO5/c1-5-21-15(18)11(2)14(20-4)12-7-6-9-16(12)13(17)8-10-19-3/h11-12,14H,5-10H2,1-4H3
InChIKeyRUZZACQKCJYLBP-UHFFFAOYSA-N
XLogP1.23
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethylazepan-1-yl)-3-methoxypropan-1-one
CID 167776443
1-[2-(1-aminoethyl)piperidin-1-yl]pentan-1-one
CID 63255456
1-(2-aminopyrrolidin-1-yl)butan-1-one
CID 138613238
2-[2-(2-methoxyethoxy)ethoxy]ethyl (2S)-2-[[(2R,3R)-3-methoxy-2-methyl-3-[(2S)-1-propanoylpyrrolidin-2-yl]propanoyl]amino]-3-phenylpropanoate
CID 58069463
3-methoxy-N-(2-methoxyethyl)-2-methyl-3-(1-methylpyrrolidin-2-yl)propanamide
CID 144871200
3-amino-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propan-1-one
CID 124508505
1-(3-methoxypropanoyl)pyrrolidine-2-carboxylic acid
CID 60759443
methyl (2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-amino-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoate
CID 118585334
3-methoxy-3-[1-[3-methoxy-5-methyl-4-[methyl(3-methylbutanoyl)amino]heptanoyl]pyrrolidin-2-yl]-2-methylpropanoic acid
CID 144988697
methyl 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate
CID 62590989
3-methoxy-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 98758074
N'-hydroxy-1-(3-methoxypropanoyl)pyrrolidine-2-carboximidamide
CID 77036476

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methoxy-3-[1-(3-methoxypropanoyl)pyrrolidin-2-yl]-2-methylpropanoate?
The IUPAC name of ethyl 3-methoxy-3-[1-(3-methoxypropanoyl)pyrrolidin-2-yl]-2-methylpropanoate (CID 169183620) is ethyl 3-methoxy-3-[1-(3-methoxypropanoyl)pyrrolidin-2-yl]-2-methylpropanoate.
What is the SMILES notation for ethyl 3-methoxy-3-[1-(3-methoxypropanoyl)pyrrolidin-2-yl]-2-methylpropanoate?
The canonical SMILES for ethyl 3-methoxy-3-[1-(3-methoxypropanoyl)pyrrolidin-2-yl]-2-methylpropanoate is CCOC(=O)C(C)C(OC)C1CCCN1C(=O)CCOC.
What is the InChIKey of ethyl 3-methoxy-3-[1-(3-methoxypropanoyl)pyrrolidin-2-yl]-2-methylpropanoate?
The InChIKey is RUZZACQKCJYLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO5/c1-5-21-15(18)11(2)14(20-4)12-7-6-9-16(12)13(17)8-10-19-3/h11-12,14H,5-10H2,1-4H3.
What are the key properties of ethyl 3-methoxy-3-[1-(3-methoxypropanoyl)pyrrolidin-2-yl]-2-methylpropanoate?
ethyl 3-methoxy-3-[1-(3-methoxypropanoyl)pyrrolidin-2-yl]-2-methylpropanoate has a molecular weight of 301.38 g/mol, XLogP of 1.23, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methoxy-3-[1-(3-methoxypropanoyl)pyrrolidin-2-yl]-2-methylpropanoate is sourced from PubChem (CID 169183620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).