5-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]pentanoic acid

C15H19Cl2NO3 — CID 99853982

IUPAC5-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]pentanoic acid
SMILESO=C(O)CCCCN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H19Cl2NO3/c16-12-5-4-11(9-13(12)17)14-10-18(7-8-21-14)6-2-1-3-15(19)20/h4-5,9,14H,1-3,6-8,10H2,(H,19,20)/t14-/m1/s1
InChIKeyPCQBPESYGIEBNB-CQSZACIVSA-N
MW332.23 g/mol
LogP3.62
Rot. Bonds6

About 5-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]pentanoic acid

5-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]pentanoic acid (PubChem CID 99853982) has the molecular formula C15H19Cl2NO3 and a molecular weight of 332.23 g/mol. Its IUPAC name is 5-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]pentanoic acid.

Molecular Properties

Compound Name5-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]pentanoic acid
PubChem CID99853982
Molecular FormulaC15H19Cl2NO3
Molecular Weight332.23 g/mol
Exact Mass331.07
IUPAC Name5-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]pentanoic acid
SMILESO=C(O)CCCCN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H19Cl2NO3/c16-12-5-4-11(9-13(12)17)14-10-18(7-8-21-14)6-2-1-3-15(19)20/h4-5,9,14H,1-3,6-8,10H2,(H,19,20)/t14-/m1/s1
InChIKeyPCQBPESYGIEBNB-CQSZACIVSA-N
XLogP3.62
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propan-1-ol
CID 95175790
4-[[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]amino]butanoic acid
CID 122021290
3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-ethylpropanamide
CID 95175771
3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-propan-2-ylpropanamide
CID 95175773
N-tert-butyl-3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propanamide
CID 95175762
4-[(2S)-2-(3-fluorophenyl)morpholin-4-yl]butanoic acid
CID 124606773
4-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]butanoic acid
CID 124564562
2-(3,4-dichlorophenyl)-4-(3-imidazol-1-ylpropyl)morpholine
CID 56880923
3-(2-phenylmorpholin-4-yl)propanoic acid
CID 119134654
3-[2-[4-[(2,6-dichlorophenoxy)methyl]phenyl]morpholin-4-yl]propanoic acid
CID 51001962

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]pentanoic acid?
The IUPAC name of 5-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]pentanoic acid (CID 99853982) is 5-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]pentanoic acid.
What is the SMILES notation for 5-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]pentanoic acid?
The canonical SMILES for 5-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]pentanoic acid is O=C(O)CCCCN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 5-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]pentanoic acid?
The InChIKey is PCQBPESYGIEBNB-CQSZACIVSA-N. The full InChI is InChI=1S/C15H19Cl2NO3/c16-12-5-4-11(9-13(12)17)14-10-18(7-8-21-14)6-2-1-3-15(19)20/h4-5,9,14H,1-3,6-8,10H2,(H,19,20)/t14-/m1/s1.
What are the key properties of 5-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]pentanoic acid?
5-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]pentanoic acid has a molecular weight of 332.23 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]pentanoic acid is sourced from PubChem (CID 99853982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).