3-acetyloxy-2-(morpholin-4-ylmethyl)butanoic acid

C11H19NO5 — CID 66704647

IUPAC3-acetyloxy-2-(morpholin-4-ylmethyl)butanoic acid
SMILESCC(=O)OC(C)C(CN1CCOCC1)C(=O)O
InChIInChI=1S/C11H19NO5/c1-8(17-9(2)13)10(11(14)15)7-12-3-5-16-6-4-12/h8,10H,3-7H2,1-2H3,(H,14,15)
InChIKeyCRUXGLDQVXKRCB-UHFFFAOYSA-N
MW245.27 g/mol
LogP-0.03
Rot. Bonds5

About 3-acetyloxy-2-(morpholin-4-ylmethyl)butanoic acid

3-acetyloxy-2-(morpholin-4-ylmethyl)butanoic acid (PubChem CID 66704647) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 3-acetyloxy-2-(morpholin-4-ylmethyl)butanoic acid.

Molecular Properties

Compound Name3-acetyloxy-2-(morpholin-4-ylmethyl)butanoic acid
PubChem CID66704647
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name3-acetyloxy-2-(morpholin-4-ylmethyl)butanoic acid
SMILESCC(=O)OC(C)C(CN1CCOCC1)C(=O)O
InChIInChI=1S/C11H19NO5/c1-8(17-9(2)13)10(11(14)15)7-12-3-5-16-6-4-12/h8,10H,3-7H2,1-2H3,(H,14,15)
InChIKeyCRUXGLDQVXKRCB-UHFFFAOYSA-N
XLogP-0.03
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-morpholin-4-ylpropanoic acid;hydrochloride
CID 6603192
[(2R)-5-morpholin-4-ylpent-3-yn-2-yl] acetate
CID 847500
1-morpholin-4-ylhexan-2-yl acetate
CID 22706849
[(2S)-2-hydroxy-3-morpholin-4-ylpropyl] acetate
CID 71177850
2-amino-3-morpholin-4-ylpropanoic acid
CID 10634204
(2-methyl-6-morpholin-4-yl-3-propan-2-ylhex-4-yn-3-yl) acetate
CID 685846
(4,4,6,6,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoro-1-morpholin-4-ylundecan-2-yl) acetate
CID 58855508
2-(morpholin-4-ylmethyl)butanedioic acid
CID 45376163
2-amino-4-methyl-1-morpholin-4-ylpentan-3-one
CID 83686496
4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]morpholine
CID 91228276
2-ethoxy-3-(1,4-oxazepan-4-yl)propanoic acid
CID 63073024
[2-(2-iodopropanoyloxy)-3-morpholin-4-ylpropyl] 2-iodopropanoate
CID 162509021

Frequently Asked Questions

What is the IUPAC name of 3-acetyloxy-2-(morpholin-4-ylmethyl)butanoic acid?
The IUPAC name of 3-acetyloxy-2-(morpholin-4-ylmethyl)butanoic acid (CID 66704647) is 3-acetyloxy-2-(morpholin-4-ylmethyl)butanoic acid.
What is the SMILES notation for 3-acetyloxy-2-(morpholin-4-ylmethyl)butanoic acid?
The canonical SMILES for 3-acetyloxy-2-(morpholin-4-ylmethyl)butanoic acid is CC(=O)OC(C)C(CN1CCOCC1)C(=O)O.
What is the InChIKey of 3-acetyloxy-2-(morpholin-4-ylmethyl)butanoic acid?
The InChIKey is CRUXGLDQVXKRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-8(17-9(2)13)10(11(14)15)7-12-3-5-16-6-4-12/h8,10H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 3-acetyloxy-2-(morpholin-4-ylmethyl)butanoic acid?
3-acetyloxy-2-(morpholin-4-ylmethyl)butanoic acid has a molecular weight of 245.27 g/mol, XLogP of -0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyloxy-2-(morpholin-4-ylmethyl)butanoic acid is sourced from PubChem (CID 66704647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).