2-[4-[(3-hydroxyphenyl)-methylcarbamoyl]morpholin-3-yl]acetic acid

C14H18N2O5 — CID 107737154

IUPAC2-[4-[(3-hydroxyphenyl)-methylcarbamoyl]morpholin-3-yl]acetic acid
SMILESCN(C(=O)N1CCOCC1CC(=O)O)c1cccc(O)c1
InChIInChI=1S/C14H18N2O5/c1-15(10-3-2-4-12(17)7-10)14(20)16-5-6-21-9-11(16)8-13(18)19/h2-4,7,11,17H,5-6,8-9H2,1H3,(H,18,19)
InChIKeyBDNJQUWNGIRLTH-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.12
Rot. Bonds3

About 2-[4-[(3-hydroxyphenyl)-methylcarbamoyl]morpholin-3-yl]acetic acid

2-[4-[(3-hydroxyphenyl)-methylcarbamoyl]morpholin-3-yl]acetic acid (PubChem CID 107737154) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[4-[(3-hydroxyphenyl)-methylcarbamoyl]morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-hydroxyphenyl)-methylcarbamoyl]morpholin-3-yl]acetic acid
PubChem CID107737154
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name2-[4-[(3-hydroxyphenyl)-methylcarbamoyl]morpholin-3-yl]acetic acid
SMILESCN(C(=O)N1CCOCC1CC(=O)O)c1cccc(O)c1
InChIInChI=1S/C14H18N2O5/c1-15(10-3-2-4-12(17)7-10)14(20)16-5-6-21-9-11(16)8-13(18)19/h2-4,7,11,17H,5-6,8-9H2,1H3,(H,18,19)
InChIKeyBDNJQUWNGIRLTH-UHFFFAOYSA-N
XLogP1.12
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-hydroxyphenyl)-methylcarbamoyl]morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[(3-hydroxyphenyl)-methylcarbamoyl]morpholin-3-yl]acetic acid (CID 107737154) is 2-[4-[(3-hydroxyphenyl)-methylcarbamoyl]morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[(3-hydroxyphenyl)-methylcarbamoyl]morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[(3-hydroxyphenyl)-methylcarbamoyl]morpholin-3-yl]acetic acid is CN(C(=O)N1CCOCC1CC(=O)O)c1cccc(O)c1.
What is the InChIKey of 2-[4-[(3-hydroxyphenyl)-methylcarbamoyl]morpholin-3-yl]acetic acid?
The InChIKey is BDNJQUWNGIRLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-15(10-3-2-4-12(17)7-10)14(20)16-5-6-21-9-11(16)8-13(18)19/h2-4,7,11,17H,5-6,8-9H2,1H3,(H,18,19).
What are the key properties of 2-[4-[(3-hydroxyphenyl)-methylcarbamoyl]morpholin-3-yl]acetic acid?
2-[4-[(3-hydroxyphenyl)-methylcarbamoyl]morpholin-3-yl]acetic acid has a molecular weight of 294.31 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-hydroxyphenyl)-methylcarbamoyl]morpholin-3-yl]acetic acid is sourced from PubChem (CID 107737154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).