(2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)butan-1-one

C10H20N2O2 — CID 79022791

IUPAC(2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)butan-1-one
SMILESCC[C@H](N)C(=O)N1CCOCC1(C)C
InChIInChI=1S/C10H20N2O2/c1-4-8(11)9(13)12-5-6-14-7-10(12,2)3/h8H,4-7,11H2,1-3H3/t8-/m0/s1
InChIKeyUAFRCXWKKXGGAV-QMMMGPOBSA-N
MW200.28 g/mol
LogP0.36
Rot. Bonds2

About (2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)butan-1-one

(2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)butan-1-one (PubChem CID 79022791) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)butan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)butan-1-one
PubChem CID79022791
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)butan-1-one
SMILESCC[C@H](N)C(=O)N1CCOCC1(C)C
InChIInChI=1S/C10H20N2O2/c1-4-8(11)9(13)12-5-6-14-7-10(12,2)3/h8H,4-7,11H2,1-3H3/t8-/m0/s1
InChIKeyUAFRCXWKKXGGAV-QMMMGPOBSA-N
XLogP0.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)butan-1-one?
The IUPAC name of (2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)butan-1-one (CID 79022791) is (2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)butan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)butan-1-one?
The canonical SMILES for (2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)butan-1-one is CC[C@H](N)C(=O)N1CCOCC1(C)C.
What is the InChIKey of (2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)butan-1-one?
The InChIKey is UAFRCXWKKXGGAV-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-4-8(11)9(13)12-5-6-14-7-10(12,2)3/h8H,4-7,11H2,1-3H3/t8-/m0/s1.
What are the key properties of (2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)butan-1-one?
(2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)butan-1-one has a molecular weight of 200.28 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)butan-1-one is sourced from PubChem (CID 79022791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).