4-(3-morpholin-4-ylpropylamino)-4-oxobutanoic acid

C11H20N2O4 — CID 3567369

IUPAC4-(3-morpholin-4-ylpropylamino)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NCCCN1CCOCC1
InChIInChI=1S/C11H20N2O4/c14-10(2-3-11(15)16)12-4-1-5-13-6-8-17-9-7-13/h1-9H2,(H,12,14)(H,15,16)
InChIKeyGFXXJTSQQNHFFJ-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.31
Rot. Bonds7

About 4-(3-morpholin-4-ylpropylamino)-4-oxobutanoic acid

4-(3-morpholin-4-ylpropylamino)-4-oxobutanoic acid (PubChem CID 3567369) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-(3-morpholin-4-ylpropylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(3-morpholin-4-ylpropylamino)-4-oxobutanoic acid
PubChem CID3567369
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4-(3-morpholin-4-ylpropylamino)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NCCCN1CCOCC1
InChIInChI=1S/C11H20N2O4/c14-10(2-3-11(15)16)12-4-1-5-13-6-8-17-9-7-13/h1-9H2,(H,12,14)(H,15,16)
InChIKeyGFXXJTSQQNHFFJ-UHFFFAOYSA-N
XLogP-0.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(Morpholin-4-yl)-4-oxobutanoic acid
CID 225378
alpha,omega-Bis{2-[(3-carboxy-1-oxopropyl)amino]ethyl}polyethylene glycol
CID 90165985
4-Oxo-4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]butanoic acid
CID 6605253
CID 59127027
CID 59127027
4-[2-(2-Aminoethoxy)ethylamino]-4-oxobutanoic acid;2,2,2-trifluoroacetic acid
CID 87662152
4-(2-((3-Carboxypropanoyl)amino)ethoxy)-4-oxobutanoic acid
CID 330270
N-[[2-Morpholino]ethyl]succinamic acid
CID 567610
(3S)-3-amino-4-(3-morpholin-4-ylpropylamino)-4-oxobutanoic acid
CID 90919288
1,9,13-Trioxa-4,18-diazacycloicosane-5,8,14,17-tetrone
CID 580968
4-(2-Morpholin-4-ium-4-ylethylamino)-4-oxobutanoate
CID 7124483
4-[4-(2-Hydroxyethyl)piperazin-4-ium-1-yl]-4-oxobutanoate
CID 2051424
4-Oxo-4-(2-propoxyethylamino)butanoic acid
CID 2734186

Frequently Asked Questions

What is the IUPAC name of 4-(3-morpholin-4-ylpropylamino)-4-oxobutanoic acid?
The IUPAC name of 4-(3-morpholin-4-ylpropylamino)-4-oxobutanoic acid (CID 3567369) is 4-(3-morpholin-4-ylpropylamino)-4-oxobutanoic acid.
What is the SMILES notation for 4-(3-morpholin-4-ylpropylamino)-4-oxobutanoic acid?
The canonical SMILES for 4-(3-morpholin-4-ylpropylamino)-4-oxobutanoic acid is O=C(O)CCC(=O)NCCCN1CCOCC1.
What is the InChIKey of 4-(3-morpholin-4-ylpropylamino)-4-oxobutanoic acid?
The InChIKey is GFXXJTSQQNHFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c14-10(2-3-11(15)16)12-4-1-5-13-6-8-17-9-7-13/h1-9H2,(H,12,14)(H,15,16).
What are the key properties of 4-(3-morpholin-4-ylpropylamino)-4-oxobutanoic acid?
4-(3-morpholin-4-ylpropylamino)-4-oxobutanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-morpholin-4-ylpropylamino)-4-oxobutanoic acid is sourced from PubChem (CID 3567369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).