2-(diethylamino)-3-morpholin-4-ylbutanoic acid

C12H24N2O3 — CID 19753104

IUPAC2-(diethylamino)-3-morpholin-4-ylbutanoic acid
SMILESCCN(CC)C(C(=O)O)C(C)N1CCOCC1
InChIInChI=1S/C12H24N2O3/c1-4-13(5-2)11(12(15)16)10(3)14-6-8-17-9-7-14/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeySKHXLVLXOFDPHY-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.50
Rot. Bonds6

About 2-(diethylamino)-3-morpholin-4-ylbutanoic acid

2-(diethylamino)-3-morpholin-4-ylbutanoic acid (PubChem CID 19753104) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-(diethylamino)-3-morpholin-4-ylbutanoic acid.

Molecular Properties

Compound Name2-(diethylamino)-3-morpholin-4-ylbutanoic acid
PubChem CID19753104
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-(diethylamino)-3-morpholin-4-ylbutanoic acid
SMILESCCN(CC)C(C(=O)O)C(C)N1CCOCC1
InChIInChI=1S/C12H24N2O3/c1-4-13(5-2)11(12(15)16)10(3)14-6-8-17-9-7-14/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeySKHXLVLXOFDPHY-UHFFFAOYSA-N
XLogP0.50
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Succinic acid, 2-(morpholin-4-yl)-, 1-isopropyl ester
CID 3351593
Ethyl 1,4-dimethylpiperazine-2-carboxylate
CID 2736419
Methyl 1,4-dimethylpiperazine-2-carboxylate
CID 12295734
Methyl 3-Morpholinobutanoate
CID 15095655
4-(2-Methoxyethoxy)-3-(morpholin-4-yl)-4-oxobutanoic acid
CID 3161128
2-Amino-3-methyl-3-(morpholin-4-yl)butanoic acid dihydrochloride
CID 146155823
Methyl 2-morpholinobutanoate
CID 11286908
3-(Morpholin-4-yl)butanoic acid
CID 20447262
Methyl 3-(4-(2-hydroxyethyl)-2-methyl-1-piperazinyl)propanoate
CID 377684
Ethyl 2-(4-ethyl-4-methylpiperazin-4-ium-1-yl)-3-methylbutanoate
CID 3065844
2-[4-[3-(2,2,2-Trifluoroethoxy)propyl]piperazin-1-yl]propanoic acid
CID 62311490
2-[4-[3-(2,2,2-Trifluoroethoxy)propyl]piperazin-1-yl]butanoic acid
CID 121818035

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-3-morpholin-4-ylbutanoic acid?
The IUPAC name of 2-(diethylamino)-3-morpholin-4-ylbutanoic acid (CID 19753104) is 2-(diethylamino)-3-morpholin-4-ylbutanoic acid.
What is the SMILES notation for 2-(diethylamino)-3-morpholin-4-ylbutanoic acid?
The canonical SMILES for 2-(diethylamino)-3-morpholin-4-ylbutanoic acid is CCN(CC)C(C(=O)O)C(C)N1CCOCC1.
What is the InChIKey of 2-(diethylamino)-3-morpholin-4-ylbutanoic acid?
The InChIKey is SKHXLVLXOFDPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-13(5-2)11(12(15)16)10(3)14-6-8-17-9-7-14/h10-11H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-(diethylamino)-3-morpholin-4-ylbutanoic acid?
2-(diethylamino)-3-morpholin-4-ylbutanoic acid has a molecular weight of 244.33 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-3-morpholin-4-ylbutanoic acid is sourced from PubChem (CID 19753104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).