(2S)-2-amino-3-methyl-1-morpholin-4-ylbutan-1-one

C9H18N2O2 — CID 14963842

IUPAC(2S)-2-amino-3-methyl-1-morpholin-4-ylbutan-1-one
SMILESCC(C)[C@H](N)C(=O)N1CCOCC1
InChIInChI=1S/C9H18N2O2/c1-7(2)8(10)9(12)11-3-5-13-6-4-11/h7-8H,3-6,10H2,1-2H3/t8-/m0/s1
InChIKeyGUDFDFVIXKMPIB-QMMMGPOBSA-N
MW186.25 g/mol
LogP-0.17
Rot. Bonds2

About (2S)-2-amino-3-methyl-1-morpholin-4-ylbutan-1-one

(2S)-2-amino-3-methyl-1-morpholin-4-ylbutan-1-one (PubChem CID 14963842) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-1-morpholin-4-ylbutan-1-one
PubChem CID14963842
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(2S)-2-amino-3-methyl-1-morpholin-4-ylbutan-1-one
SMILESCC(C)[C@H](N)C(=O)N1CCOCC1
InChIInChI=1S/C9H18N2O2/c1-7(2)8(10)9(12)11-3-5-13-6-4-11/h7-8H,3-6,10H2,1-2H3/t8-/m0/s1
InChIKeyGUDFDFVIXKMPIB-QMMMGPOBSA-N
XLogP-0.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-1-morpholin-4-ylbutan-1-one?
The IUPAC name of (2S)-2-amino-3-methyl-1-morpholin-4-ylbutan-1-one (CID 14963842) is (2S)-2-amino-3-methyl-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for (2S)-2-amino-3-methyl-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for (2S)-2-amino-3-methyl-1-morpholin-4-ylbutan-1-one is CC(C)[C@H](N)C(=O)N1CCOCC1.
What is the InChIKey of (2S)-2-amino-3-methyl-1-morpholin-4-ylbutan-1-one?
The InChIKey is GUDFDFVIXKMPIB-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(2)8(10)9(12)11-3-5-13-6-4-11/h7-8H,3-6,10H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-1-morpholin-4-ylbutan-1-one?
(2S)-2-amino-3-methyl-1-morpholin-4-ylbutan-1-one has a molecular weight of 186.25 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 14963842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).