2-[(4-hydroxy-3-methylbutan-2-yl)amino]-1-morpholin-4-ylpropan-1-one

C12H24N2O3 — CID 113484800

IUPAC2-[(4-hydroxy-3-methylbutan-2-yl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCC(NC(C)C(C)CO)C(=O)N1CCOCC1
InChIInChI=1S/C12H24N2O3/c1-9(8-15)10(2)13-11(3)12(16)14-4-6-17-7-5-14/h9-11,13,15H,4-8H2,1-3H3
InChIKeyWSQWPDHQIWYBDF-UHFFFAOYSA-N
MW244.33 g/mol
LogP-0.16
Rot. Bonds5

About 2-[(4-hydroxy-3-methylbutan-2-yl)amino]-1-morpholin-4-ylpropan-1-one

2-[(4-hydroxy-3-methylbutan-2-yl)amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 113484800) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[(4-hydroxy-3-methylbutan-2-yl)amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[(4-hydroxy-3-methylbutan-2-yl)amino]-1-morpholin-4-ylpropan-1-one
PubChem CID113484800
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[(4-hydroxy-3-methylbutan-2-yl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCC(NC(C)C(C)CO)C(=O)N1CCOCC1
InChIInChI=1S/C12H24N2O3/c1-9(8-15)10(2)13-11(3)12(16)14-4-6-17-7-5-14/h9-11,13,15H,4-8H2,1-3H3
InChIKeyWSQWPDHQIWYBDF-UHFFFAOYSA-N
XLogP-0.16
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4-hydroxy-3-methylbutan-2-yl)amino]-1-morpholin-4-ylpropan-1-one with MolForge

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Related Compounds

N-(4-hydroxy-3-methylbutan-2-yl)morpholine-4-carboxamide
CID 111444624
2-(4-methylpentan-2-ylamino)-1-morpholin-4-ylpropan-1-one
CID 43372158
2-[[(1S)-1-cyclopentylethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81395367
2-[[(1S)-1-cycloheptylethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81392361
[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid
CID 67759315
2-(cyclopentylamino)-1-morpholin-4-ylpropan-1-one
CID 43083614
(2S)-2-[[(2S)-hex-5-en-2-yl]amino]-1-morpholin-4-ylpropan-1-one
CID 99628944
2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylpropan-1-one
CID 114174239
(2S)-2-(cyclohexylamino)-1-morpholin-4-ylpropan-1-one
CID 51675158
2-(6-hydroxyhexylamino)-1-morpholin-4-ylpropan-1-one
CID 107703595
1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propan-2-ylurea
CID 115620431
N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide
CID 110347736

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-3-methylbutan-2-yl)amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[(4-hydroxy-3-methylbutan-2-yl)amino]-1-morpholin-4-ylpropan-1-one (CID 113484800) is 2-[(4-hydroxy-3-methylbutan-2-yl)amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[(4-hydroxy-3-methylbutan-2-yl)amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[(4-hydroxy-3-methylbutan-2-yl)amino]-1-morpholin-4-ylpropan-1-one is CC(NC(C)C(C)CO)C(=O)N1CCOCC1.
What is the InChIKey of 2-[(4-hydroxy-3-methylbutan-2-yl)amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is WSQWPDHQIWYBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-9(8-15)10(2)13-11(3)12(16)14-4-6-17-7-5-14/h9-11,13,15H,4-8H2,1-3H3.
What are the key properties of 2-[(4-hydroxy-3-methylbutan-2-yl)amino]-1-morpholin-4-ylpropan-1-one?
2-[(4-hydroxy-3-methylbutan-2-yl)amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 244.33 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-3-methylbutan-2-yl)amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 113484800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).