3-[4-[(2-chlorophenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid

C14H16ClNO4 — CID 115060611

IUPAC3-[4-[(2-chlorophenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid
SMILESO=C(O)CCC1COCC(=O)N1Cc1ccccc1Cl
InChIInChI=1S/C14H16ClNO4/c15-12-4-2-1-3-10(12)7-16-11(5-6-14(18)19)8-20-9-13(16)17/h1-4,11H,5-9H2,(H,18,19)
InChIKeyVBUSQFISOSQOLS-UHFFFAOYSA-N
MW297.74 g/mol
LogP1.93
Rot. Bonds5

About 3-[4-[(2-chlorophenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid

3-[4-[(2-chlorophenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid (PubChem CID 115060611) has the molecular formula C14H16ClNO4 and a molecular weight of 297.74 g/mol. Its IUPAC name is 3-[4-[(2-chlorophenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(2-chlorophenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid
PubChem CID115060611
Molecular FormulaC14H16ClNO4
Molecular Weight297.74 g/mol
Exact Mass297.08
IUPAC Name3-[4-[(2-chlorophenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid
SMILESO=C(O)CCC1COCC(=O)N1Cc1ccccc1Cl
InChIInChI=1S/C14H16ClNO4/c15-12-4-2-1-3-10(12)7-16-11(5-6-14(18)19)8-20-9-13(16)17/h1-4,11H,5-9H2,(H,18,19)
InChIKeyVBUSQFISOSQOLS-UHFFFAOYSA-N
XLogP1.93
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(2-methylphenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid
CID 115060609
3-[5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]propanoic acid
CID 117009713
3-(5-oxo-4-propylmorpholin-3-yl)propanoic acid
CID 115060552
3-[4-(2-hydroxyphenyl)-5-oxomorpholin-3-yl]propanoic acid
CID 115060501
5-(3-aminopropyl)-4-benzylmorpholin-3-one
CID 115060565
(2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 40516924
5-(3-aminopropyl)-4-[(2-methylphenyl)methyl]morpholin-3-one
CID 115060596
5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]morpholin-3-one
CID 115102814
3-(4-cyclopropyl-5-oxomorpholin-3-yl)propanoic acid
CID 115060435
3-(4-tert-butyl-5-oxomorpholin-3-yl)propanoic acid
CID 115060537
4-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one
CID 115102818
4-(2-chlorophenyl)-5-(2-hydroxyethyl)morpholin-3-one
CID 117009643

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-chlorophenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid?
The IUPAC name of 3-[4-[(2-chlorophenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid (CID 115060611) is 3-[4-[(2-chlorophenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid.
What is the SMILES notation for 3-[4-[(2-chlorophenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid?
The canonical SMILES for 3-[4-[(2-chlorophenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid is O=C(O)CCC1COCC(=O)N1Cc1ccccc1Cl.
What is the InChIKey of 3-[4-[(2-chlorophenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid?
The InChIKey is VBUSQFISOSQOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO4/c15-12-4-2-1-3-10(12)7-16-11(5-6-14(18)19)8-20-9-13(16)17/h1-4,11H,5-9H2,(H,18,19).
What are the key properties of 3-[4-[(2-chlorophenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid?
3-[4-[(2-chlorophenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid has a molecular weight of 297.74 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-chlorophenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid is sourced from PubChem (CID 115060611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).