(6S)-6-(aminomethyl)-4-(2-methoxyethyl)morpholin-3-one

C8H16N2O3 — CID 42249905

IUPAC(6S)-6-(aminomethyl)-4-(2-methoxyethyl)morpholin-3-one
SMILESCOCCN1C[C@H](CN)OCC1=O
InChIInChI=1S/C8H16N2O3/c1-12-3-2-10-5-7(4-9)13-6-8(10)11/h7H,2-6,9H2,1H3/t7-/m0/s1
InChIKeyNGKOMVFFGHWOQT-ZETCQYMHSA-N
MW188.23 g/mol
LogP-1.18
Rot. Bonds4

About (6S)-6-(aminomethyl)-4-(2-methoxyethyl)morpholin-3-one

(6S)-6-(aminomethyl)-4-(2-methoxyethyl)morpholin-3-one (PubChem CID 42249905) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is (6S)-6-(aminomethyl)-4-(2-methoxyethyl)morpholin-3-one.

Molecular Properties

Compound Name(6S)-6-(aminomethyl)-4-(2-methoxyethyl)morpholin-3-one
PubChem CID42249905
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name(6S)-6-(aminomethyl)-4-(2-methoxyethyl)morpholin-3-one
SMILESCOCCN1C[C@H](CN)OCC1=O
InChIInChI=1S/C8H16N2O3/c1-12-3-2-10-5-7(4-9)13-6-8(10)11/h7H,2-6,9H2,1H3/t7-/m0/s1
InChIKeyNGKOMVFFGHWOQT-ZETCQYMHSA-N
XLogP-1.18
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-1.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-(aminomethyl)-4-(2-methoxyethyl)morpholin-3-one?
The IUPAC name of (6S)-6-(aminomethyl)-4-(2-methoxyethyl)morpholin-3-one (CID 42249905) is (6S)-6-(aminomethyl)-4-(2-methoxyethyl)morpholin-3-one.
What is the SMILES notation for (6S)-6-(aminomethyl)-4-(2-methoxyethyl)morpholin-3-one?
The canonical SMILES for (6S)-6-(aminomethyl)-4-(2-methoxyethyl)morpholin-3-one is COCCN1C[C@H](CN)OCC1=O.
What is the InChIKey of (6S)-6-(aminomethyl)-4-(2-methoxyethyl)morpholin-3-one?
The InChIKey is NGKOMVFFGHWOQT-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-12-3-2-10-5-7(4-9)13-6-8(10)11/h7H,2-6,9H2,1H3/t7-/m0/s1.
What are the key properties of (6S)-6-(aminomethyl)-4-(2-methoxyethyl)morpholin-3-one?
(6S)-6-(aminomethyl)-4-(2-methoxyethyl)morpholin-3-one has a molecular weight of 188.23 g/mol, XLogP of -1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(aminomethyl)-4-(2-methoxyethyl)morpholin-3-one is sourced from PubChem (CID 42249905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).