3-(4-chlorophenyl)-3-morpholin-4-ylbutanoic acid

C14H18ClNO3 — CID 64528314

IUPAC3-(4-chlorophenyl)-3-morpholin-4-ylbutanoic acid
SMILESCC(CC(=O)O)(c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C14H18ClNO3/c1-14(10-13(17)18,16-6-8-19-9-7-16)11-2-4-12(15)5-3-11/h2-5H,6-10H2,1H3,(H,17,18)
InChIKeyKAFRAWMOEDLARM-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.36
Rot. Bonds4

About 3-(4-chlorophenyl)-3-morpholin-4-ylbutanoic acid

3-(4-chlorophenyl)-3-morpholin-4-ylbutanoic acid (PubChem CID 64528314) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-morpholin-4-ylbutanoic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-morpholin-4-ylbutanoic acid
PubChem CID64528314
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name3-(4-chlorophenyl)-3-morpholin-4-ylbutanoic acid
SMILESCC(CC(=O)O)(c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C14H18ClNO3/c1-14(10-13(17)18,16-6-8-19-9-7-16)11-2-4-12(15)5-3-11/h2-5H,6-10H2,1H3,(H,17,18)
InChIKeyKAFRAWMOEDLARM-UHFFFAOYSA-N
XLogP2.36
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylphenyl)-3-morpholin-4-ylbutanoic acid
CID 64527538
3-(3-chloro-4-fluorophenyl)-3-pyrrolidin-1-ylbutanoic acid
CID 64527170
3-(azepan-1-yl)-3-(3-chloro-4-fluorophenyl)butanoic acid
CID 64529090
3-(azepan-1-yl)-3-(4-methoxyphenyl)butanoic acid
CID 64526937
ethyl 3-(4-chlorophenyl)-3-pyrrolidin-1-ylbutanoate
CID 64527625
3-(4-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylbutanoic acid
CID 64526180
3-morpholin-4-yl-3-phenylhexanoic acid
CID 64528715
3-methyl-3-morpholin-4-ylpentanoic acid
CID 64527149
3-(2,5-dichlorophenyl)-3-piperidin-1-ylbutanoic acid
CID 64526651
3-(azepan-1-yl)-3-(2,5-dichlorophenyl)butanoic acid
CID 64527529
3-pyrrolidin-1-yl-3-[3-(trifluoromethyl)phenyl]butanoic acid
CID 64529122
1-(2,5-dichlorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-one
CID 79057317

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-morpholin-4-ylbutanoic acid?
The IUPAC name of 3-(4-chlorophenyl)-3-morpholin-4-ylbutanoic acid (CID 64528314) is 3-(4-chlorophenyl)-3-morpholin-4-ylbutanoic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-3-morpholin-4-ylbutanoic acid?
The canonical SMILES for 3-(4-chlorophenyl)-3-morpholin-4-ylbutanoic acid is CC(CC(=O)O)(c1ccc(Cl)cc1)N1CCOCC1.
What is the InChIKey of 3-(4-chlorophenyl)-3-morpholin-4-ylbutanoic acid?
The InChIKey is KAFRAWMOEDLARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-14(10-13(17)18,16-6-8-19-9-7-16)11-2-4-12(15)5-3-11/h2-5H,6-10H2,1H3,(H,17,18).
What are the key properties of 3-(4-chlorophenyl)-3-morpholin-4-ylbutanoic acid?
3-(4-chlorophenyl)-3-morpholin-4-ylbutanoic acid has a molecular weight of 283.75 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-morpholin-4-ylbutanoic acid is sourced from PubChem (CID 64528314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).