1-[(3R)-3-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone

C10H20N2O2 — CID 139553526

IUPAC1-[(3R)-3-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone
SMILESCC(=O)N1CCOC[C@H]1CNC(C)C
InChIInChI=1S/C10H20N2O2/c1-8(2)11-6-10-7-14-5-4-12(10)9(3)13/h8,10-11H,4-7H2,1-3H3/t10-/m1/s1
InChIKeyHIRKMGSSGHZCDZ-SNVBAGLBSA-N
MW200.28 g/mol
LogP0.23
Rot. Bonds3

About 1-[(3R)-3-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone

1-[(3R)-3-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone (PubChem CID 139553526) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-[(3R)-3-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone
PubChem CID139553526
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-[(3R)-3-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone
SMILESCC(=O)N1CCOC[C@H]1CNC(C)C
InChIInChI=1S/C10H20N2O2/c1-8(2)11-6-10-7-14-5-4-12(10)9(3)13/h8,10-11H,4-7H2,1-3H3/t10-/m1/s1
InChIKeyHIRKMGSSGHZCDZ-SNVBAGLBSA-N
XLogP0.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-[(tert-butylamino)methyl]morpholin-4-yl]ethanone
CID 162424231
N-[(4-cyclopentylmorpholin-3-yl)methyl]propan-2-amine
CID 83100519
3-(acetamidomethyl)morpholine-4-carboxylic acid
CID 174875901
N-[(4-nonylmorpholin-3-yl)methyl]propan-2-amine
CID 83100021
N-[[4-(2-methylsulfonylethyl)morpholin-3-yl]methyl]propan-2-amine
CID 83100521
N-[[4-(cyclohexylmethyl)morpholin-3-yl]methyl]propan-2-amine
CID 83100271
tert-butyl 3-[(dicyclopropylmethylamino)methyl]morpholine-4-carboxylate
CID 107249604
1-(3-iodomorpholin-4-yl)ethanone
CID 140998826
4-[2-(butan-2-ylamino)acetyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83096882
N-[[4-(oxolan-2-ylmethyl)morpholin-3-yl]methyl]propan-2-amine
CID 83099933
N-propan-2-yl-4-[4-(propan-2-ylamino)butanoyl]morpholine-3-carboxamide
CID 83097068
3-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid
CID 113416503

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone?
The IUPAC name of 1-[(3R)-3-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone (CID 139553526) is 1-[(3R)-3-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone is CC(=O)N1CCOC[C@H]1CNC(C)C.
What is the InChIKey of 1-[(3R)-3-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone?
The InChIKey is HIRKMGSSGHZCDZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(2)11-6-10-7-14-5-4-12(10)9(3)13/h8,10-11H,4-7H2,1-3H3/t10-/m1/s1.
What are the key properties of 1-[(3R)-3-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone?
1-[(3R)-3-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone has a molecular weight of 200.28 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 139553526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).