3-[4-(3-ethylmorpholine-4-carbonyl)piperazin-1-yl]propanoic acid

C14H25N3O4 — CID 61201831

IUPAC3-[4-(3-ethylmorpholine-4-carbonyl)piperazin-1-yl]propanoic acid
SMILESCCC1COCCN1C(=O)N1CCN(CCC(=O)O)CC1
InChIInChI=1S/C14H25N3O4/c1-2-12-11-21-10-9-17(12)14(20)16-7-5-15(6-8-16)4-3-13(18)19/h12H,2-11H2,1H3,(H,18,19)
InChIKeyUDNFGZONSUGWBS-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.31
Rot. Bonds4

About 3-[4-(3-ethylmorpholine-4-carbonyl)piperazin-1-yl]propanoic acid

3-[4-(3-ethylmorpholine-4-carbonyl)piperazin-1-yl]propanoic acid (PubChem CID 61201831) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-[4-(3-ethylmorpholine-4-carbonyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(3-ethylmorpholine-4-carbonyl)piperazin-1-yl]propanoic acid
PubChem CID61201831
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name3-[4-(3-ethylmorpholine-4-carbonyl)piperazin-1-yl]propanoic acid
SMILESCCC1COCCN1C(=O)N1CCN(CCC(=O)O)CC1
InChIInChI=1S/C14H25N3O4/c1-2-12-11-21-10-9-17(12)14(20)16-7-5-15(6-8-16)4-3-13(18)19/h12H,2-11H2,1H3,(H,18,19)
InChIKeyUDNFGZONSUGWBS-UHFFFAOYSA-N
XLogP0.31
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-(3-ethylmorpholine-4-carbonyl)piperazin-1-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(3-ethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid
CID 64617831
5-(3-ethylmorpholin-4-yl)-5-oxopentanoic acid
CID 43611838
3-ethylmorpholine-4-carbonyl chloride
CID 79887430
2-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid
CID 61264784
1-[(3S)-3-ethylmorpholin-4-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)ethanone
CID 70724928
2-amino-1-(3-ethylmorpholin-4-yl)propan-1-one
CID 43613241
1-(3-ethylmorpholin-4-yl)but-2-en-1-one
CID 78966287
2-(3-ethylmorpholin-4-yl)-2-oxoacetohydrazide
CID 43613615
5-bromo-1-(3-ethylmorpholin-4-yl)pentan-1-one
CID 107908453
3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanoic acid
CID 43396296
1-(3-ethylmorpholin-4-yl)ethanimine
CID 63172920
tert-butyl (3S)-3-ethylmorpholine-4-carboxylate
CID 135215862

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-ethylmorpholine-4-carbonyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(3-ethylmorpholine-4-carbonyl)piperazin-1-yl]propanoic acid (CID 61201831) is 3-[4-(3-ethylmorpholine-4-carbonyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(3-ethylmorpholine-4-carbonyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(3-ethylmorpholine-4-carbonyl)piperazin-1-yl]propanoic acid is CCC1COCCN1C(=O)N1CCN(CCC(=O)O)CC1.
What is the InChIKey of 3-[4-(3-ethylmorpholine-4-carbonyl)piperazin-1-yl]propanoic acid?
The InChIKey is UDNFGZONSUGWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-2-12-11-21-10-9-17(12)14(20)16-7-5-15(6-8-16)4-3-13(18)19/h12H,2-11H2,1H3,(H,18,19).
What are the key properties of 3-[4-(3-ethylmorpholine-4-carbonyl)piperazin-1-yl]propanoic acid?
3-[4-(3-ethylmorpholine-4-carbonyl)piperazin-1-yl]propanoic acid has a molecular weight of 299.37 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-ethylmorpholine-4-carbonyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 61201831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).