2-[4-(2-hydroxypropyl)-6-methyl-2-oxomorpholin-3-yl]acetic acid

C10H17NO5 — CID 129239497

IUPAC2-[4-(2-hydroxypropyl)-6-methyl-2-oxomorpholin-3-yl]acetic acid
SMILESCC(O)CN1CC(C)OC(=O)C1CC(=O)O
InChIInChI=1S/C10H17NO5/c1-6(12)4-11-5-7(2)16-10(15)8(11)3-9(13)14/h6-8,12H,3-5H2,1-2H3,(H,13,14)
InChIKeyRFKUCYBKZNROQO-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.54
Rot. Bonds4

About 2-[4-(2-hydroxypropyl)-6-methyl-2-oxomorpholin-3-yl]acetic acid

2-[4-(2-hydroxypropyl)-6-methyl-2-oxomorpholin-3-yl]acetic acid (PubChem CID 129239497) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[4-(2-hydroxypropyl)-6-methyl-2-oxomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-hydroxypropyl)-6-methyl-2-oxomorpholin-3-yl]acetic acid
PubChem CID129239497
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name2-[4-(2-hydroxypropyl)-6-methyl-2-oxomorpholin-3-yl]acetic acid
SMILESCC(O)CN1CC(C)OC(=O)C1CC(=O)O
InChIInChI=1S/C10H17NO5/c1-6(12)4-11-5-7(2)16-10(15)8(11)3-9(13)14/h6-8,12H,3-5H2,1-2H3,(H,13,14)
InChIKeyRFKUCYBKZNROQO-UHFFFAOYSA-N
XLogP-0.54
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Succinic acid, 2-(morpholin-4-yl)-, 1-isopropyl ester
CID 3351593
4-Ethoxy-4-oxo-3-piperidin-1-ylbutanoic acid
CID 661641
4-(Cyclohexyloxy)-3-morpholino-4-oxobutanoic acid
CID 2942977
3-(Morpholin-4-yl)-4-oxo-4-(tetrahydrofuran-2-ylmethoxy)butanoic acid
CID 661853
L,D-morpholinosuccinic acid
CID 12615272
4-(2-Methoxyethoxy)-3-(morpholin-4-yl)-4-oxobutanoic acid
CID 3161128
methyl (2R*,4S*)-1-(2-ethoxy-2-oxoethyl)-4-hydroxypiperidine-2-carboxylate
CID 133118263
Diethyl 2-(piperidin-1-yl)butanedioate
CID 284952
Maleic acid + morpholine
CID 7060825
1-O-ethyl 4-O-methyl 2-methyl-3-morpholin-4-ylbutanedioate
CID 74936058
2-[4-(3-Methoxy-3-methylbutyl)morpholin-3-yl]acetic acid
CID 103034740
4-O-ethyl 1-O-methyl 2-piperidin-1-ylbutanedioate
CID 121001707

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxypropyl)-6-methyl-2-oxomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(2-hydroxypropyl)-6-methyl-2-oxomorpholin-3-yl]acetic acid (CID 129239497) is 2-[4-(2-hydroxypropyl)-6-methyl-2-oxomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-hydroxypropyl)-6-methyl-2-oxomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(2-hydroxypropyl)-6-methyl-2-oxomorpholin-3-yl]acetic acid is CC(O)CN1CC(C)OC(=O)C1CC(=O)O.
What is the InChIKey of 2-[4-(2-hydroxypropyl)-6-methyl-2-oxomorpholin-3-yl]acetic acid?
The InChIKey is RFKUCYBKZNROQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-6(12)4-11-5-7(2)16-10(15)8(11)3-9(13)14/h6-8,12H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 2-[4-(2-hydroxypropyl)-6-methyl-2-oxomorpholin-3-yl]acetic acid?
2-[4-(2-hydroxypropyl)-6-methyl-2-oxomorpholin-3-yl]acetic acid has a molecular weight of 231.25 g/mol, XLogP of -0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxypropyl)-6-methyl-2-oxomorpholin-3-yl]acetic acid is sourced from PubChem (CID 129239497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).