4-[2-hydroxy-3-(2-methylpropylamino)propyl]morpholin-3-one

C11H22N2O3 — CID 115475838

IUPAC4-[2-hydroxy-3-(2-methylpropylamino)propyl]morpholin-3-one
SMILESCC(C)CNCC(O)CN1CCOCC1=O
InChIInChI=1S/C11H22N2O3/c1-9(2)5-12-6-10(14)7-13-3-4-16-8-11(13)15/h9-10,12,14H,3-8H2,1-2H3
InChIKeyNXNRDMXZFHCQLX-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.55
Rot. Bonds6

About 4-[2-hydroxy-3-(2-methylpropylamino)propyl]morpholin-3-one

4-[2-hydroxy-3-(2-methylpropylamino)propyl]morpholin-3-one (PubChem CID 115475838) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[2-hydroxy-3-(2-methylpropylamino)propyl]morpholin-3-one.

Molecular Properties

Compound Name4-[2-hydroxy-3-(2-methylpropylamino)propyl]morpholin-3-one
PubChem CID115475838
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name4-[2-hydroxy-3-(2-methylpropylamino)propyl]morpholin-3-one
SMILESCC(C)CNCC(O)CN1CCOCC1=O
InChIInChI=1S/C11H22N2O3/c1-9(2)5-12-6-10(14)7-13-3-4-16-8-11(13)15/h9-10,12,14H,3-8H2,1-2H3
InChIKeyNXNRDMXZFHCQLX-UHFFFAOYSA-N
XLogP-0.55
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methylbutyl)morpholin-3-one
CID 58222536
4-[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]morpholin-3-one
CID 79467881
1-(3,3-dimethylmorpholin-4-yl)-3-(2-methylpropylamino)propan-2-ol
CID 113317478
4-[2-(propylamino)propyl]morpholin-3-one
CID 79468803
4-(2-hydroxy-2-phenylethyl)morpholin-3-one
CID 79469635
2-acetamido-3-(3-oxomorpholin-4-yl)propanoic acid
CID 79469214
1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-(2-methylpropylamino)propan-2-ol
CID 115475357
4-[2-(propylamino)pentyl]morpholin-3-one
CID 79467992
4-(2,2-dimethylpropyl)morpholin-3-one
CID 59172197
1-(3-methylbutylamino)-3-morpholin-4-ylpropan-2-ol
CID 60665903
1-ethyl-3-[2-hydroxy-3-(2-methylpropylamino)propyl]imidazol-2-one
CID 113317741
4-[2-hydroxy-3-(2-methoxyethylamino)propyl]morpholine-3,5-dione
CID 115475673

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-3-(2-methylpropylamino)propyl]morpholin-3-one?
The IUPAC name of 4-[2-hydroxy-3-(2-methylpropylamino)propyl]morpholin-3-one (CID 115475838) is 4-[2-hydroxy-3-(2-methylpropylamino)propyl]morpholin-3-one.
What is the SMILES notation for 4-[2-hydroxy-3-(2-methylpropylamino)propyl]morpholin-3-one?
The canonical SMILES for 4-[2-hydroxy-3-(2-methylpropylamino)propyl]morpholin-3-one is CC(C)CNCC(O)CN1CCOCC1=O.
What is the InChIKey of 4-[2-hydroxy-3-(2-methylpropylamino)propyl]morpholin-3-one?
The InChIKey is NXNRDMXZFHCQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-9(2)5-12-6-10(14)7-13-3-4-16-8-11(13)15/h9-10,12,14H,3-8H2,1-2H3.
What are the key properties of 4-[2-hydroxy-3-(2-methylpropylamino)propyl]morpholin-3-one?
4-[2-hydroxy-3-(2-methylpropylamino)propyl]morpholin-3-one has a molecular weight of 230.31 g/mol, XLogP of -0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-3-(2-methylpropylamino)propyl]morpholin-3-one is sourced from PubChem (CID 115475838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).