2-[(4-chlorophenyl)methyl]-4-morpholin-4-ylbutanoic acid

C15H20ClNO3 — CID 79418630

IUPAC2-[(4-chlorophenyl)methyl]-4-morpholin-4-ylbutanoic acid
SMILESO=C(O)C(CCN1CCOCC1)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO3/c16-14-3-1-12(2-4-14)11-13(15(18)19)5-6-17-7-9-20-10-8-17/h1-4,13H,5-11H2,(H,18,19)
InChIKeyWXIPKHNTPSTMPU-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.31
Rot. Bonds6

About 2-[(4-chlorophenyl)methyl]-4-morpholin-4-ylbutanoic acid

2-[(4-chlorophenyl)methyl]-4-morpholin-4-ylbutanoic acid (PubChem CID 79418630) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-4-morpholin-4-ylbutanoic acid.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-4-morpholin-4-ylbutanoic acid
PubChem CID79418630
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name2-[(4-chlorophenyl)methyl]-4-morpholin-4-ylbutanoic acid
SMILESO=C(O)C(CCN1CCOCC1)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO3/c16-14-3-1-12(2-4-14)11-13(15(18)19)5-6-17-7-9-20-10-8-17/h1-4,13H,5-11H2,(H,18,19)
InChIKeyWXIPKHNTPSTMPU-UHFFFAOYSA-N
XLogP2.31
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromophenyl)methyl]-4-morpholin-4-ylbutanoic acid
CID 79417987
2-(3-chlorophenyl)-4-morpholin-4-ylbutanoic acid
CID 53487613
2-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
CID 110355487
6-amino-2-[(4-chlorophenyl)methyl]hexanoic acid
CID 104681512
(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724233
2-[(4-chlorophenyl)methyl]-3-(furan-3-yl)propanoic acid
CID 83173129
(4-chlorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 113073693
3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 127118554
2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
CID 133214559
(2S)-4-(4-chlorophenyl)-2-(2-morpholin-4-ylethylamino)-4-oxobutanoic acid
CID 683158
2-[6-[(4-chlorophenyl)methyl]-1,4-oxazepan-4-yl]acetic acid
CID 102604213
(2S)-2-amino-3-[4-(2-morpholin-4-ylethylamino)phenyl]propanoic acid
CID 130323279

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-4-morpholin-4-ylbutanoic acid?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-4-morpholin-4-ylbutanoic acid (CID 79418630) is 2-[(4-chlorophenyl)methyl]-4-morpholin-4-ylbutanoic acid.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-4-morpholin-4-ylbutanoic acid?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-4-morpholin-4-ylbutanoic acid is O=C(O)C(CCN1CCOCC1)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-4-morpholin-4-ylbutanoic acid?
The InChIKey is WXIPKHNTPSTMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c16-14-3-1-12(2-4-14)11-13(15(18)19)5-6-17-7-9-20-10-8-17/h1-4,13H,5-11H2,(H,18,19).
What are the key properties of 2-[(4-chlorophenyl)methyl]-4-morpholin-4-ylbutanoic acid?
2-[(4-chlorophenyl)methyl]-4-morpholin-4-ylbutanoic acid has a molecular weight of 297.78 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-4-morpholin-4-ylbutanoic acid is sourced from PubChem (CID 79418630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).