[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylcyclopropyl)methanone

C15H28N2O3 — CID 72907313

IUPAC[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylcyclopropyl)methanone
SMILESCCN(CCO)C[C@@H]1CN(C(=O)C2(C)CC2)C[C@@H]1CO
InChIInChI=1S/C15H28N2O3/c1-3-16(6-7-18)8-12-9-17(10-13(12)11-19)14(20)15(2)4-5-15/h12-13,18-19H,3-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyCLESFTLCJVIQFA-CHWSQXEVSA-N
MW284.40 g/mol
LogP0.17
Rot. Bonds7

About [(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylcyclopropyl)methanone

[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylcyclopropyl)methanone (PubChem CID 72907313) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is [(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylcyclopropyl)methanone.

Molecular Properties

Compound Name[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylcyclopropyl)methanone
PubChem CID72907313
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylcyclopropyl)methanone
SMILESCCN(CCO)C[C@@H]1CN(C(=O)C2(C)CC2)C[C@@H]1CO
InChIInChI=1S/C15H28N2O3/c1-3-16(6-7-18)8-12-9-17(10-13(12)11-19)14(20)15(2)4-5-15/h12-13,18-19H,3-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyCLESFTLCJVIQFA-CHWSQXEVSA-N
XLogP0.17
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylcyclopropyl)methanone?
The IUPAC name of [(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylcyclopropyl)methanone (CID 72907313) is [(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylcyclopropyl)methanone.
What is the SMILES notation for [(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylcyclopropyl)methanone?
The canonical SMILES for [(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylcyclopropyl)methanone is CCN(CCO)C[C@@H]1CN(C(=O)C2(C)CC2)C[C@@H]1CO.
What is the InChIKey of [(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylcyclopropyl)methanone?
The InChIKey is CLESFTLCJVIQFA-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-3-16(6-7-18)8-12-9-17(10-13(12)11-19)14(20)15(2)4-5-15/h12-13,18-19H,3-11H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of [(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylcyclopropyl)methanone?
[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylcyclopropyl)methanone has a molecular weight of 284.40 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylcyclopropyl)methanone is sourced from PubChem (CID 72907313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).