(2S)-2-(dimethylamino)-1-morpholin-4-ylpropan-1-one

C9H18N2O2 — CID 126998393

IUPAC(2S)-2-(dimethylamino)-1-morpholin-4-ylpropan-1-one
SMILESC[C@@H](C(=O)N1CCOCC1)N(C)C
InChIInChI=1S/C9H18N2O2/c1-8(10(2)3)9(12)11-4-6-13-7-5-11/h8H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyYFRMIGLCASVZBP-QMMMGPOBSA-N
MW186.25 g/mol
LogP-0.20
Rot. Bonds2

About (2S)-2-(dimethylamino)-1-morpholin-4-ylpropan-1-one

(2S)-2-(dimethylamino)-1-morpholin-4-ylpropan-1-one (PubChem CID 126998393) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-1-morpholin-4-ylpropan-1-one
PubChem CID126998393
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(2S)-2-(dimethylamino)-1-morpholin-4-ylpropan-1-one
SMILESC[C@@H](C(=O)N1CCOCC1)N(C)C
InChIInChI=1S/C9H18N2O2/c1-8(10(2)3)9(12)11-4-6-13-7-5-11/h8H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyYFRMIGLCASVZBP-QMMMGPOBSA-N
XLogP-0.20
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-1-(morpholin-4-yl)butan-1-one
CID 22273198
methyl (2R)-1,4-diacetylpiperazine-2-carboxylate
CID 7161619
N-[3-(morpholin-4-yl)propyl]-N'-(propan-2-yl)ethanediamide
CID 2055735
Morpholine, 4-(2-(bis(2-chloroethyl)amino)propionyl)-, hydrochloride
CID 3064257
2-Amino-1-(morpholin-4-yl)propan-1-one hydrochloride
CID 22722814
(2S)-2-amino-1-(morpholin-4-yl)butan-1-one hydrochloride
CID 86690681
N-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 3229463
N-butan-2-yl-2-morpholin-4-ylacetamide
CID 17634927
2-[4-(2-Ethoxyethyl)-3-ethylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 53596202
1-(Azetidin-1-yl)-2-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone
CID 53609242
3-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-N,N-dimethylpropanamide
CID 53609821
1-(Azetidin-1-yl)-2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]ethanone
CID 53609826

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of (2S)-2-(dimethylamino)-1-morpholin-4-ylpropan-1-one (CID 126998393) is (2S)-2-(dimethylamino)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2S)-2-(dimethylamino)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2S)-2-(dimethylamino)-1-morpholin-4-ylpropan-1-one is C[C@@H](C(=O)N1CCOCC1)N(C)C.
What is the InChIKey of (2S)-2-(dimethylamino)-1-morpholin-4-ylpropan-1-one?
The InChIKey is YFRMIGLCASVZBP-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-8(10(2)3)9(12)11-4-6-13-7-5-11/h8H,4-7H2,1-3H3/t8-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-1-morpholin-4-ylpropan-1-one?
(2S)-2-(dimethylamino)-1-morpholin-4-ylpropan-1-one has a molecular weight of 186.25 g/mol, XLogP of -0.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 126998393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).