cyclobutyl-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone

C13H24N2O3 — CID 97040435

IUPACcyclobutyl-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone
SMILESCN(CCO)C[C@H]1COCCN1C(=O)C1CCC1
InChIInChI=1S/C13H24N2O3/c1-14(5-7-16)9-12-10-18-8-6-15(12)13(17)11-3-2-4-11/h11-12,16H,2-10H2,1H3/t12-/m0/s1
InChIKeyIWRLJSUQZTWJKF-LBPRGKRZSA-N
MW256.35 g/mol
LogP-0.06
Rot. Bonds5

About cyclobutyl-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone

cyclobutyl-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone (PubChem CID 97040435) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is cyclobutyl-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone
PubChem CID97040435
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namecyclobutyl-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone
SMILESCN(CCO)C[C@H]1COCCN1C(=O)C1CCC1
InChIInChI=1S/C13H24N2O3/c1-14(5-7-16)9-12-10-18-8-6-15(12)13(17)11-3-2-4-11/h11-12,16H,2-10H2,1H3/t12-/m0/s1
InChIKeyIWRLJSUQZTWJKF-LBPRGKRZSA-N
XLogP-0.06
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone?
The IUPAC name of cyclobutyl-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone (CID 97040435) is cyclobutyl-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone.
What is the SMILES notation for cyclobutyl-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone?
The canonical SMILES for cyclobutyl-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone is CN(CCO)C[C@H]1COCCN1C(=O)C1CCC1.
What is the InChIKey of cyclobutyl-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone?
The InChIKey is IWRLJSUQZTWJKF-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-14(5-7-16)9-12-10-18-8-6-15(12)13(17)11-3-2-4-11/h11-12,16H,2-10H2,1H3/t12-/m0/s1.
What are the key properties of cyclobutyl-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone?
cyclobutyl-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone has a molecular weight of 256.35 g/mol, XLogP of -0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 97040435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).