3-[[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]amino]propanoic acid

C14H20N2O5 — CID 122017688

IUPAC3-[[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]amino]propanoic acid
SMILESCCc1ccc(C2COCCN2C(=O)NCCC(=O)O)o1
InChIInChI=1S/C14H20N2O5/c1-2-10-3-4-12(21-10)11-9-20-8-7-16(11)14(19)15-6-5-13(17)18/h3-4,11H,2,5-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyJCJMZHUDAVZWRY-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.40
Rot. Bonds5

About 3-[[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]amino]propanoic acid

3-[[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]amino]propanoic acid (PubChem CID 122017688) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 3-[[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]amino]propanoic acid
PubChem CID122017688
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name3-[[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]amino]propanoic acid
SMILESCCc1ccc(C2COCCN2C(=O)NCCC(=O)O)o1
InChIInChI=1S/C14H20N2O5/c1-2-10-3-4-12(21-10)11-9-20-8-7-16(11)14(19)15-6-5-13(17)18/h3-4,11H,2,5-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyJCJMZHUDAVZWRY-UHFFFAOYSA-N
XLogP1.40
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 119185554
(3S)-3-(5-ethylfuran-2-yl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]morpholine-4-carboxamide
CID 96519217
1-[3-(5-ethylfuran-2-yl)morpholin-4-yl]-3-hydroxy-3-phenylbutan-1-one
CID 110025457
3-[(3-methylmorpholine-4-carbonyl)amino]propanoic acid
CID 61209883
[4-(diethylaminomethyl)phenyl]-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone
CID 102557628
5-[(3R)-3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-2-carboxylic acid
CID 124683969
4-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-2-carboxylic acid
CID 119185550
2-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-4-carboxylic acid
CID 122055723
(3R)-3-(5-ethylfuran-2-yl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]morpholine-4-carboxamide
CID 99715180
N-[2-[3-(5-ethylfuran-2-yl)morpholin-4-yl]-2-oxoethyl]-N-(2-phenylethyl)acetamide
CID 126769209
[3-(5-ethylfuran-2-yl)morpholin-4-yl]-(5,6,7,8-tetrahydroquinolin-2-yl)methanone
CID 71911578
[(3R)-3-(5-ethylfuran-2-yl)morpholin-4-yl]-(5,6,7,8-tetrahydroquinolin-2-yl)methanone
CID 97059417

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]amino]propanoic acid (CID 122017688) is 3-[[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]amino]propanoic acid is CCc1ccc(C2COCCN2C(=O)NCCC(=O)O)o1.
What is the InChIKey of 3-[[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]amino]propanoic acid?
The InChIKey is JCJMZHUDAVZWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-2-10-3-4-12(21-10)11-9-20-8-7-16(11)14(19)15-6-5-13(17)18/h3-4,11H,2,5-9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 3-[[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]amino]propanoic acid?
3-[[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]amino]propanoic acid has a molecular weight of 296.32 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]amino]propanoic acid is sourced from PubChem (CID 122017688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).