(2S)-2-morpholin-4-ylbutanedioic acid

C8H13NO5 — CID 12615273

IUPAC(2S)-2-morpholin-4-ylbutanedioic acid
SMILESO=C(O)C[C@@H](C(=O)O)N1CCOCC1
InChIInChI=1S/C8H13NO5/c10-7(11)5-6(8(12)13)9-1-3-14-4-2-9/h6H,1-5H2,(H,10,11)(H,12,13)/t6-/m0/s1
InChIKeyUBDUXVILYVIFKH-LURJTMIESA-N
MW203.19 g/mol
LogP-0.75
Rot. Bonds4

About (2S)-2-morpholin-4-ylbutanedioic acid

(2S)-2-morpholin-4-ylbutanedioic acid (PubChem CID 12615273) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is (2S)-2-morpholin-4-ylbutanedioic acid.

Molecular Properties

Compound Name(2S)-2-morpholin-4-ylbutanedioic acid
PubChem CID12615273
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name(2S)-2-morpholin-4-ylbutanedioic acid
SMILESO=C(O)C[C@@H](C(=O)O)N1CCOCC1
InChIInChI=1S/C8H13NO5/c10-7(11)5-6(8(12)13)9-1-3-14-4-2-9/h6H,1-5H2,(H,10,11)(H,12,13)/t6-/m0/s1
InChIKeyUBDUXVILYVIFKH-LURJTMIESA-N
XLogP-0.75
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
L,D-morpholinosuccinic acid
CID 12615272
3-Morpholino-4-oxo-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid
CID 3161127
4-(2-Methoxyethoxy)-3-(morpholin-4-yl)-4-oxobutanoic acid
CID 3161128
4-Methoxy-4-oxo-2-(piperidin-1-yl)butanoic acid hydrochloride
CID 137944250
(4-Methyl-3-morpholinyl)acetic acid hydrochloride
CID 137952070
2-(Piperidin-1-yl)succinic acid
CID 12615274
3-(Morpholin-4-yl)butanoic acid
CID 20447262
Diethyl 2-(piperidin-1-yl)butanedioate
CID 284952
Maleic acid + morpholine
CID 7060825

Frequently Asked Questions

What is the IUPAC name of (2S)-2-morpholin-4-ylbutanedioic acid?
The IUPAC name of (2S)-2-morpholin-4-ylbutanedioic acid (CID 12615273) is (2S)-2-morpholin-4-ylbutanedioic acid.
What is the SMILES notation for (2S)-2-morpholin-4-ylbutanedioic acid?
The canonical SMILES for (2S)-2-morpholin-4-ylbutanedioic acid is O=C(O)C[C@@H](C(=O)O)N1CCOCC1.
What is the InChIKey of (2S)-2-morpholin-4-ylbutanedioic acid?
The InChIKey is UBDUXVILYVIFKH-LURJTMIESA-N. The full InChI is InChI=1S/C8H13NO5/c10-7(11)5-6(8(12)13)9-1-3-14-4-2-9/h6H,1-5H2,(H,10,11)(H,12,13)/t6-/m0/s1.
What are the key properties of (2S)-2-morpholin-4-ylbutanedioic acid?
(2S)-2-morpholin-4-ylbutanedioic acid has a molecular weight of 203.19 g/mol, XLogP of -0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-morpholin-4-ylbutanedioic acid is sourced from PubChem (CID 12615273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).