4-[[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]amino]butanoic acid

C15H18Cl2N2O4 — CID 122021290

IUPAC4-[[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)N1CCOC(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H18Cl2N2O4/c16-11-4-3-10(8-12(11)17)13-9-19(6-7-23-13)15(22)18-5-1-2-14(20)21/h3-4,8,13H,1-2,5-7,9H2,(H,18,22)(H,20,21)
InChIKeyBIKIWYMNESVQBM-UHFFFAOYSA-N
MW361.23 g/mol
LogP2.94
Rot. Bonds5

About 4-[[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]amino]butanoic acid

4-[[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]amino]butanoic acid (PubChem CID 122021290) has the molecular formula C15H18Cl2N2O4 and a molecular weight of 361.23 g/mol. Its IUPAC name is 4-[[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]amino]butanoic acid
PubChem CID122021290
Molecular FormulaC15H18Cl2N2O4
Molecular Weight361.23 g/mol
Exact Mass360.06
IUPAC Name4-[[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)N1CCOC(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H18Cl2N2O4/c16-11-4-3-10(8-12(11)17)13-9-19(6-7-23-13)15(22)18-5-1-2-14(20)21/h3-4,8,13H,1-2,5-7,9H2,(H,18,22)(H,20,21)
InChIKeyBIKIWYMNESVQBM-UHFFFAOYSA-N
XLogP2.94
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]amino]butanoic 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-(3,4-dichlorophenyl)-N-propylmorpholine-4-carboxamide
CID 110364326
4-[[2-(4-bromophenyl)morpholine-4-carbonyl]amino]butanoic acid
CID 122021453
5-[2-(3,4-dichlorophenyl)morpholin-4-yl]pentanoic acid
CID 91660392
4-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]butanoic acid
CID 95563875
5-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]pentanoic acid
CID 99853982
4-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]pentan-1-one
CID 120562102
2-(4-chlorophenyl)-N-propylmorpholine-4-carboxamide
CID 47326521
1-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
CID 95180794
1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
CID 119769922
4-[[4-[(3,4-dichlorophenyl)methoxy]piperidine-1-carbonyl]amino]butanoic acid
CID 122022190
1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one
CID 56743980
1-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 95180594

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]amino]butanoic acid?
The IUPAC name of 4-[[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]amino]butanoic acid (CID 122021290) is 4-[[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]amino]butanoic acid.
What is the SMILES notation for 4-[[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]amino]butanoic acid?
The canonical SMILES for 4-[[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]amino]butanoic acid is O=C(O)CCCNC(=O)N1CCOC(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 4-[[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]amino]butanoic acid?
The InChIKey is BIKIWYMNESVQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O4/c16-11-4-3-10(8-12(11)17)13-9-19(6-7-23-13)15(22)18-5-1-2-14(20)21/h3-4,8,13H,1-2,5-7,9H2,(H,18,22)(H,20,21).
What are the key properties of 4-[[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]amino]butanoic acid?
4-[[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]amino]butanoic acid has a molecular weight of 361.23 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]amino]butanoic acid is sourced from PubChem (CID 122021290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).