1-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one

C15H28N2O4 — CID 72887183

IUPAC1-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one
SMILESCOC(C)(C)C(=O)N1C[C@@H](CN2CCOCC2)[C@@H](CO)C1
InChIInChI=1S/C15H28N2O4/c1-15(2,20-3)14(19)17-9-12(13(10-17)11-18)8-16-4-6-21-7-5-16/h12-13,18H,4-11H2,1-3H3/t12-,13-/m1/s1
InChIKeyYOGRJZSMFOWGGP-CHWSQXEVSA-N
MW300.40 g/mol
LogP-0.19
Rot. Bonds5

About 1-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one

1-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one (PubChem CID 72887183) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one
PubChem CID72887183
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name1-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one
SMILESCOC(C)(C)C(=O)N1C[C@@H](CN2CCOCC2)[C@@H](CO)C1
InChIInChI=1S/C15H28N2O4/c1-15(2,20-3)14(19)17-9-12(13(10-17)11-18)8-16-4-6-21-7-5-16/h12-13,18H,4-11H2,1-3H3/t12-,13-/m1/s1
InChIKeyYOGRJZSMFOWGGP-CHWSQXEVSA-N
XLogP-0.19
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one?
The IUPAC name of 1-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one (CID 72887183) is 1-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one.
What is the SMILES notation for 1-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one?
The canonical SMILES for 1-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one is COC(C)(C)C(=O)N1C[C@@H](CN2CCOCC2)[C@@H](CO)C1.
What is the InChIKey of 1-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one?
The InChIKey is YOGRJZSMFOWGGP-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-15(2,20-3)14(19)17-9-12(13(10-17)11-18)8-16-4-6-21-7-5-16/h12-13,18H,4-11H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of 1-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one?
1-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one has a molecular weight of 300.40 g/mol, XLogP of -0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one is sourced from PubChem (CID 72887183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).