3-(5-chloro-2-morpholin-4-ylphenyl)propanoic acid

C13H16ClNO3 — CID 117427366

IUPAC3-(5-chloro-2-morpholin-4-ylphenyl)propanoic acid
SMILESO=C(O)CCc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C13H16ClNO3/c14-11-2-3-12(15-5-7-18-8-6-15)10(9-11)1-4-13(16)17/h2-3,9H,1,4-8H2,(H,16,17)
InChIKeyWJMAJRVUDTWKDK-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.19
Rot. Bonds4

About 3-(5-chloro-2-morpholin-4-ylphenyl)propanoic acid

3-(5-chloro-2-morpholin-4-ylphenyl)propanoic acid (PubChem CID 117427366) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 3-(5-chloro-2-morpholin-4-ylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(5-chloro-2-morpholin-4-ylphenyl)propanoic acid
PubChem CID117427366
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name3-(5-chloro-2-morpholin-4-ylphenyl)propanoic acid
SMILESO=C(O)CCc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C13H16ClNO3/c14-11-2-3-12(15-5-7-18-8-6-15)10(9-11)1-4-13(16)17/h2-3,9H,1,4-8H2,(H,16,17)
InChIKeyWJMAJRVUDTWKDK-UHFFFAOYSA-N
XLogP2.19
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-2-(1,4-oxazepan-4-yl)phenyl]methanol
CID 114845567
3-[2-(carboxymethyl)-5-chlorophenyl]propanoic acid
CID 118836350
3-(2-hydroxy-5-morpholin-4-ylphenyl)propanoic acid
CID 117380858
1-[(5-chloro-2-morpholin-4-ylphenyl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 122013124
1-(5-chloro-2-morpholin-4-ylphenyl)-2-methylpropan-2-amine
CID 117425635
2-amino-1-(5-chloro-2-morpholin-4-ylphenyl)ethanone
CID 117390088
2-(4-chloro-2-morpholin-4-ylphenyl)ethanamine
CID 114860184
N-(4-chloro-2-morpholin-4-ylphenyl)-3-phenylpropanamide
CID 2990376
4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid
CID 117108460
(2,5-dihydroxypyrrol-1-yl) 4-[(5-chloro-2-morpholin-4-ylphenyl)methyl]piperazine-1-carboxylate
CID 123553841
4-[(5-chloro-2-morpholin-4-ylphenyl)methylamino]pyridine-2-carboxamide
CID 167918382
3-(1-methyl-4-morpholin-4-ylindol-3-yl)propanoic acid
CID 138576954

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-morpholin-4-ylphenyl)propanoic acid?
The IUPAC name of 3-(5-chloro-2-morpholin-4-ylphenyl)propanoic acid (CID 117427366) is 3-(5-chloro-2-morpholin-4-ylphenyl)propanoic acid.
What is the SMILES notation for 3-(5-chloro-2-morpholin-4-ylphenyl)propanoic acid?
The canonical SMILES for 3-(5-chloro-2-morpholin-4-ylphenyl)propanoic acid is O=C(O)CCc1cc(Cl)ccc1N1CCOCC1.
What is the InChIKey of 3-(5-chloro-2-morpholin-4-ylphenyl)propanoic acid?
The InChIKey is WJMAJRVUDTWKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c14-11-2-3-12(15-5-7-18-8-6-15)10(9-11)1-4-13(16)17/h2-3,9H,1,4-8H2,(H,16,17).
What are the key properties of 3-(5-chloro-2-morpholin-4-ylphenyl)propanoic acid?
3-(5-chloro-2-morpholin-4-ylphenyl)propanoic acid has a molecular weight of 269.73 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-morpholin-4-ylphenyl)propanoic acid is sourced from PubChem (CID 117427366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).