(2S)-3-morpholin-4-yl-2-(oxan-2-yloxy)propanal

C12H21NO4 — CID 170438347

IUPAC(2S)-3-morpholin-4-yl-2-(oxan-2-yloxy)propanal
SMILESO=C[C@H](CN1CCOCC1)OC1CCCCO1
InChIInChI=1S/C12H21NO4/c14-10-11(9-13-4-7-15-8-5-13)17-12-3-1-2-6-16-12/h10-12H,1-9H2/t11-,12?/m0/s1
InChIKeyBZCHPCVZYCETDS-PXYINDEMSA-N
MW243.30 g/mol
LogP0.43
Rot. Bonds5

About (2S)-3-morpholin-4-yl-2-(oxan-2-yloxy)propanal

(2S)-3-morpholin-4-yl-2-(oxan-2-yloxy)propanal (PubChem CID 170438347) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is (2S)-3-morpholin-4-yl-2-(oxan-2-yloxy)propanal.

Molecular Properties

Compound Name(2S)-3-morpholin-4-yl-2-(oxan-2-yloxy)propanal
PubChem CID170438347
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name(2S)-3-morpholin-4-yl-2-(oxan-2-yloxy)propanal
SMILESO=C[C@H](CN1CCOCC1)OC1CCCCO1
InChIInChI=1S/C12H21NO4/c14-10-11(9-13-4-7-15-8-5-13)17-12-3-1-2-6-16-12/h10-12H,1-9H2/t11-,12?/m0/s1
InChIKeyBZCHPCVZYCETDS-PXYINDEMSA-N
XLogP0.43
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-morpholin-4-yl-2-(oxan-2-yloxy)propanal?
The IUPAC name of (2S)-3-morpholin-4-yl-2-(oxan-2-yloxy)propanal (CID 170438347) is (2S)-3-morpholin-4-yl-2-(oxan-2-yloxy)propanal.
What is the SMILES notation for (2S)-3-morpholin-4-yl-2-(oxan-2-yloxy)propanal?
The canonical SMILES for (2S)-3-morpholin-4-yl-2-(oxan-2-yloxy)propanal is O=C[C@H](CN1CCOCC1)OC1CCCCO1.
What is the InChIKey of (2S)-3-morpholin-4-yl-2-(oxan-2-yloxy)propanal?
The InChIKey is BZCHPCVZYCETDS-PXYINDEMSA-N. The full InChI is InChI=1S/C12H21NO4/c14-10-11(9-13-4-7-15-8-5-13)17-12-3-1-2-6-16-12/h10-12H,1-9H2/t11-,12?/m0/s1.
What are the key properties of (2S)-3-morpholin-4-yl-2-(oxan-2-yloxy)propanal?
(2S)-3-morpholin-4-yl-2-(oxan-2-yloxy)propanal has a molecular weight of 243.30 g/mol, XLogP of 0.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-morpholin-4-yl-2-(oxan-2-yloxy)propanal is sourced from PubChem (CID 170438347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).