2-(3-chlorophenyl)-4-morpholin-4-ylbutanoic acid

C14H18ClNO3 — CID 53487613

IUPAC2-(3-chlorophenyl)-4-morpholin-4-ylbutanoic acid
SMILESO=C(O)C(CCN1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClNO3/c15-12-3-1-2-11(10-12)13(14(17)18)4-5-16-6-8-19-9-7-16/h1-3,10,13H,4-9H2,(H,17,18)
InChIKeyHIOGHDQZZCMNLC-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.23
Rot. Bonds5

About 2-(3-chlorophenyl)-4-morpholin-4-ylbutanoic acid

2-(3-chlorophenyl)-4-morpholin-4-ylbutanoic acid (PubChem CID 53487613) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-morpholin-4-ylbutanoic acid.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-morpholin-4-ylbutanoic acid
PubChem CID53487613
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name2-(3-chlorophenyl)-4-morpholin-4-ylbutanoic acid
SMILESO=C(O)C(CCN1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClNO3/c15-12-3-1-2-11(10-12)13(14(17)18)4-5-16-6-8-19-9-7-16/h1-3,10,13H,4-9H2,(H,17,18)
InChIKeyHIOGHDQZZCMNLC-UHFFFAOYSA-N
XLogP2.23
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-4-piperazin-1-ylbutanoic acid
CID 172688988
2-(3-chlorophenyl)-3-(oxan-4-yl)propanoic acid
CID 79440566
2-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)propanoic acid
CID 117243308
2-[(4-chlorophenyl)methyl]-4-morpholin-4-ylbutanoic acid
CID 79418630
2-(3-chlorophenyl)-6-methylheptanoic acid
CID 83158941
3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propanoic acid
CID 117243283
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
2-[(3-bromophenyl)methyl]-4-morpholin-4-ylbutanoic acid
CID 79417987
1-(3-chlorophenyl)-2-morpholin-4-ylethanone
CID 43227690
[1-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propyl] carbamate
CID 67281133
2-(3-chlorophenyl)-5-phenoxypentanoic acid
CID 79431082
3-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-2-thiophen-2-ylpropanoic acid
CID 20990784

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-morpholin-4-ylbutanoic acid?
The IUPAC name of 2-(3-chlorophenyl)-4-morpholin-4-ylbutanoic acid (CID 53487613) is 2-(3-chlorophenyl)-4-morpholin-4-ylbutanoic acid.
What is the SMILES notation for 2-(3-chlorophenyl)-4-morpholin-4-ylbutanoic acid?
The canonical SMILES for 2-(3-chlorophenyl)-4-morpholin-4-ylbutanoic acid is O=C(O)C(CCN1CCOCC1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-4-morpholin-4-ylbutanoic acid?
The InChIKey is HIOGHDQZZCMNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c15-12-3-1-2-11(10-12)13(14(17)18)4-5-16-6-8-19-9-7-16/h1-3,10,13H,4-9H2,(H,17,18).
What are the key properties of 2-(3-chlorophenyl)-4-morpholin-4-ylbutanoic acid?
2-(3-chlorophenyl)-4-morpholin-4-ylbutanoic acid has a molecular weight of 283.75 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-morpholin-4-ylbutanoic acid is sourced from PubChem (CID 53487613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).