2-ethoxycarbonyl-4-morpholin-4-ylbutanoic acid

C11H19NO5 — CID 103973536

IUPAC2-ethoxycarbonyl-4-morpholin-4-ylbutanoic acid
SMILESCCOC(=O)C(CCN1CCOCC1)C(=O)O
InChIInChI=1S/C11H19NO5/c1-2-17-11(15)9(10(13)14)3-4-12-5-7-16-8-6-12/h9H,2-8H2,1H3,(H,13,14)
InChIKeyKIPQZPPDYDXIAS-UHFFFAOYSA-N
MW245.27 g/mol
LogP-0.03
Rot. Bonds6

About 2-ethoxycarbonyl-4-morpholin-4-ylbutanoic acid

2-ethoxycarbonyl-4-morpholin-4-ylbutanoic acid (PubChem CID 103973536) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-ethoxycarbonyl-4-morpholin-4-ylbutanoic acid.

Molecular Properties

Compound Name2-ethoxycarbonyl-4-morpholin-4-ylbutanoic acid
PubChem CID103973536
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name2-ethoxycarbonyl-4-morpholin-4-ylbutanoic acid
SMILESCCOC(=O)C(CCN1CCOCC1)C(=O)O
InChIInChI=1S/C11H19NO5/c1-2-17-11(15)9(10(13)14)3-4-12-5-7-16-8-6-12/h9H,2-8H2,1H3,(H,13,14)
InChIKeyKIPQZPPDYDXIAS-UHFFFAOYSA-N
XLogP-0.03
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

[(2R)-3-carboxy-2-(2-methylpropanoyloxy)propyl]-trimethylazanium
CID 168380
3-Hydroxyisovalerylcarnitine
CID 131668011
O-methylmalonylcarnitine
CID 71464478
Hydroxyisovaleroyl-d3 Carnitine
CID 71464474
[(2R)-3-carboxy-2-[(2R)-2-carboxypropanoyl]oxypropyl]-trimethylazanium
CID 96365703
Methylmalonylcarnitine
CID 53481628
[3-Carboxy-2-(3-methylbutanoyloxy)propyl]-trimethylazanium
CID 6426852
Malonic acid, ethyl(piperidinomethyl)-, diethyl ester
CID 56489
(2S,3R)-3-Hydroxy-2-methylbutanoylcarnitine
CID 87087938
3-[1-Carboxy-3-(trimethylazaniumyl)propan-2-yl]oxy-2-methyl-3-oxopropanoate
CID 156960934
Npc323863
CID 91825610
Hemiacetylcarnitinium
CID 128706

Frequently Asked Questions

What is the IUPAC name of 2-ethoxycarbonyl-4-morpholin-4-ylbutanoic acid?
The IUPAC name of 2-ethoxycarbonyl-4-morpholin-4-ylbutanoic acid (CID 103973536) is 2-ethoxycarbonyl-4-morpholin-4-ylbutanoic acid.
What is the SMILES notation for 2-ethoxycarbonyl-4-morpholin-4-ylbutanoic acid?
The canonical SMILES for 2-ethoxycarbonyl-4-morpholin-4-ylbutanoic acid is CCOC(=O)C(CCN1CCOCC1)C(=O)O.
What is the InChIKey of 2-ethoxycarbonyl-4-morpholin-4-ylbutanoic acid?
The InChIKey is KIPQZPPDYDXIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-2-17-11(15)9(10(13)14)3-4-12-5-7-16-8-6-12/h9H,2-8H2,1H3,(H,13,14).
What are the key properties of 2-ethoxycarbonyl-4-morpholin-4-ylbutanoic acid?
2-ethoxycarbonyl-4-morpholin-4-ylbutanoic acid has a molecular weight of 245.27 g/mol, XLogP of -0.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxycarbonyl-4-morpholin-4-ylbutanoic acid is sourced from PubChem (CID 103973536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).