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

C9H17NO3 — CID 69460030

IUPAC(2S)-2-hydroxy-3-methyl-1-morpholin-4-ylbutan-1-one
SMILESCC(C)[C@H](O)C(=O)N1CCOCC1
InChIInChI=1S/C9H17NO3/c1-7(2)8(11)9(12)10-3-5-13-6-4-10/h7-8,11H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyYCOJCXRBBJCCJU-QMMMGPOBSA-N
MW187.24 g/mol
LogP-0.14
Rot. Bonds2

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

(2S)-2-hydroxy-3-methyl-1-morpholin-4-ylbutan-1-one (PubChem CID 69460030) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-methyl-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-methyl-1-morpholin-4-ylbutan-1-one
PubChem CID69460030
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(2S)-2-hydroxy-3-methyl-1-morpholin-4-ylbutan-1-one
SMILESCC(C)[C@H](O)C(=O)N1CCOCC1
InChIInChI=1S/C9H17NO3/c1-7(2)8(11)9(12)10-3-5-13-6-4-10/h7-8,11H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyYCOJCXRBBJCCJU-QMMMGPOBSA-N
XLogP-0.14
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroxy-4-morpholin-4-yl-4-oxobutanamide
CID 68766850
2-amino-3-methyl-1-morpholin-4-ylbutan-1-one
CID 22492154
(2S)-2-chloro-1-morpholin-4-ylpropan-1-one
CID 2434799
(2R)-2-amino-1-morpholin-4-ylpropan-1-one;hydrochloride
CID 156637014
2-hydroxy-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 134435805
(2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-1-one
CID 1121708
3-methyl-2-(methylamino)-1-morpholin-4-ylbutan-1-one
CID 110838021
2,3-dimethyl-4-morpholin-4-yl-4-oxobutanoic acid
CID 21025679
(2R)-2-hydroxy-1-morpholin-4-ylbutan-1-one
CID 69457105
2-hydroxy-3-morpholin-4-yl-3-oxopropanoic acid
CID 140976949
[(2R,3R)-3-methyl-1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentan-2-yl]azanium
CID 7452509
2-isocyano-1-morpholin-4-ylbutan-1-one
CID 134865549

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-methyl-1-morpholin-4-ylbutan-1-one?
The IUPAC name of (2S)-2-hydroxy-3-methyl-1-morpholin-4-ylbutan-1-one (CID 69460030) is (2S)-2-hydroxy-3-methyl-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for (2S)-2-hydroxy-3-methyl-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for (2S)-2-hydroxy-3-methyl-1-morpholin-4-ylbutan-1-one is CC(C)[C@H](O)C(=O)N1CCOCC1.
What is the InChIKey of (2S)-2-hydroxy-3-methyl-1-morpholin-4-ylbutan-1-one?
The InChIKey is YCOJCXRBBJCCJU-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(2)8(11)9(12)10-3-5-13-6-4-10/h7-8,11H,3-6H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-methyl-1-morpholin-4-ylbutan-1-one?
(2S)-2-hydroxy-3-methyl-1-morpholin-4-ylbutan-1-one has a molecular weight of 187.24 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-methyl-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 69460030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).