2-(cyclopropylmethoxy)-1-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone

C13H23NO4 — CID 128983185

IUPAC2-(cyclopropylmethoxy)-1-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
SMILESCOC[C@@H]1C[C@@H](OC)CN1C(=O)COCC1CC1
InChIInChI=1S/C13H23NO4/c1-16-8-11-5-12(17-2)6-14(11)13(15)9-18-7-10-3-4-10/h10-12H,3-9H2,1-2H3/t11-,12+/m0/s1
InChIKeyGYYMSTYLHUOFGB-NWDGAFQWSA-N
MW257.33 g/mol
LogP0.68
Rot. Bonds7

About 2-(cyclopropylmethoxy)-1-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone

2-(cyclopropylmethoxy)-1-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone (PubChem CID 128983185) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-1-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-1-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
PubChem CID128983185
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name2-(cyclopropylmethoxy)-1-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
SMILESCOC[C@@H]1C[C@@H](OC)CN1C(=O)COCC1CC1
InChIInChI=1S/C13H23NO4/c1-16-8-11-5-12(17-2)6-14(11)13(15)9-18-7-10-3-4-10/h10-12H,3-9H2,1-2H3/t11-,12+/m0/s1
InChIKeyGYYMSTYLHUOFGB-NWDGAFQWSA-N
XLogP0.68
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carboxamide
CID 167729627
1-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 155238412
tert-butyl (2S,4S)-2-(cyclohexylmethoxymethyl)-4-methoxypyrrolidine-1-carboxylate
CID 70229456
1-[4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyloctane-1,6-dione
CID 118494456
1-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 128984367
1-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 154740365
(3,5-dimethyl-1H-pyrrol-2-yl)-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 128983104
1-[(2S,4R)-4-ethoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 153365620
[(2S,4R)-1-hexadecanoyl-4-methoxypyrrolidin-2-yl]methyl hypoiodite
CID 156850282
2-(2-chloro-4-fluorophenoxy)-1-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 128984307
ethane;8-[4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4,4,6,6-tetramethyl-8-oxooctanoic acid
CID 171500263
[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 128984328

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-1-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(cyclopropylmethoxy)-1-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone (CID 128983185) is 2-(cyclopropylmethoxy)-1-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(cyclopropylmethoxy)-1-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(cyclopropylmethoxy)-1-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone is COC[C@@H]1C[C@@H](OC)CN1C(=O)COCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxy)-1-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is GYYMSTYLHUOFGB-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H23NO4/c1-16-8-11-5-12(17-2)6-14(11)13(15)9-18-7-10-3-4-10/h10-12H,3-9H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of 2-(cyclopropylmethoxy)-1-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone?
2-(cyclopropylmethoxy)-1-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 257.33 g/mol, XLogP of 0.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-1-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 128983185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).