(3S)-3-acetyloxy-4-morpholin-4-yl-4-oxobutanoic acid

C10H15NO6 — CID 58619493

IUPAC(3S)-3-acetyloxy-4-morpholin-4-yl-4-oxobutanoic acid
SMILESCC(=O)O[C@@H](CC(=O)O)C(=O)N1CCOCC1
InChIInChI=1S/C10H15NO6/c1-7(12)17-8(6-9(13)14)10(15)11-2-4-16-5-3-11/h8H,2-6H2,1H3,(H,13,14)/t8-/m0/s1
InChIKeySSWALLNXFZYVEZ-QMMMGPOBSA-N
MW245.23 g/mol
LogP-0.75
Rot. Bonds4

About (3S)-3-acetyloxy-4-morpholin-4-yl-4-oxobutanoic acid

(3S)-3-acetyloxy-4-morpholin-4-yl-4-oxobutanoic acid (PubChem CID 58619493) has the molecular formula C10H15NO6 and a molecular weight of 245.23 g/mol. Its IUPAC name is (3S)-3-acetyloxy-4-morpholin-4-yl-4-oxobutanoic acid.

Molecular Properties

Compound Name(3S)-3-acetyloxy-4-morpholin-4-yl-4-oxobutanoic acid
PubChem CID58619493
Molecular FormulaC10H15NO6
Molecular Weight245.23 g/mol
Exact Mass245.09
IUPAC Name(3S)-3-acetyloxy-4-morpholin-4-yl-4-oxobutanoic acid
SMILESCC(=O)O[C@@H](CC(=O)O)C(=O)N1CCOCC1
InChIInChI=1S/C10H15NO6/c1-7(12)17-8(6-9(13)14)10(15)11-2-4-16-5-3-11/h8H,2-6H2,1H3,(H,13,14)/t8-/m0/s1
InChIKeySSWALLNXFZYVEZ-QMMMGPOBSA-N
XLogP-0.75
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetyloxy-4-morpholin-4-yl-4-oxobutanoic acid
CID 22054018
(2,4,5-triacetyloxy-1,6-dimorpholin-4-yl-1,6-dioxohexan-3-yl) acetate
CID 4863636
2-acetyloxybutanedioic acid;ethane
CID 90962940
1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone
CID 20707611
1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone
CID 10335257
1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone
CID 949153
(2-amino-3-morpholin-4-yl-3-oxopropyl) acetate
CID 11436688
2-[2-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-oxoethoxy]acetic acid
CID 113408335
[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid
CID 67759315
(3S)-3-acetyloxy-4-oxo-4-[(2S)-1-oxo-1-phosphanyloxypropan-2-yl]oxybutanoic acid
CID 130211106
(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) carbamate
CID 70335727
2,3-dimethyl-4-morpholin-4-yl-4-oxobutanoic acid
CID 21025679

Frequently Asked Questions

What is the IUPAC name of (3S)-3-acetyloxy-4-morpholin-4-yl-4-oxobutanoic acid?
The IUPAC name of (3S)-3-acetyloxy-4-morpholin-4-yl-4-oxobutanoic acid (CID 58619493) is (3S)-3-acetyloxy-4-morpholin-4-yl-4-oxobutanoic acid.
What is the SMILES notation for (3S)-3-acetyloxy-4-morpholin-4-yl-4-oxobutanoic acid?
The canonical SMILES for (3S)-3-acetyloxy-4-morpholin-4-yl-4-oxobutanoic acid is CC(=O)O[C@@H](CC(=O)O)C(=O)N1CCOCC1.
What is the InChIKey of (3S)-3-acetyloxy-4-morpholin-4-yl-4-oxobutanoic acid?
The InChIKey is SSWALLNXFZYVEZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15NO6/c1-7(12)17-8(6-9(13)14)10(15)11-2-4-16-5-3-11/h8H,2-6H2,1H3,(H,13,14)/t8-/m0/s1.
What are the key properties of (3S)-3-acetyloxy-4-morpholin-4-yl-4-oxobutanoic acid?
(3S)-3-acetyloxy-4-morpholin-4-yl-4-oxobutanoic acid has a molecular weight of 245.23 g/mol, XLogP of -0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-acetyloxy-4-morpholin-4-yl-4-oxobutanoic acid is sourced from PubChem (CID 58619493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).