4-[(4-hydroxyphenyl)-methylcarbamoyl]morpholine-3-carboxylic acid

C13H16N2O5 — CID 107737030

IUPAC4-[(4-hydroxyphenyl)-methylcarbamoyl]morpholine-3-carboxylic acid
SMILESCN(C(=O)N1CCOCC1C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C13H16N2O5/c1-14(9-2-4-10(16)5-3-9)13(19)15-6-7-20-8-11(15)12(17)18/h2-5,11,16H,6-8H2,1H3,(H,17,18)
InChIKeyLSMGWZYSXHEQNB-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.73
Rot. Bonds2

About 4-[(4-hydroxyphenyl)-methylcarbamoyl]morpholine-3-carboxylic acid

4-[(4-hydroxyphenyl)-methylcarbamoyl]morpholine-3-carboxylic acid (PubChem CID 107737030) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)-methylcarbamoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)-methylcarbamoyl]morpholine-3-carboxylic acid
PubChem CID107737030
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name4-[(4-hydroxyphenyl)-methylcarbamoyl]morpholine-3-carboxylic acid
SMILESCN(C(=O)N1CCOCC1C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C13H16N2O5/c1-14(9-2-4-10(16)5-3-9)13(19)15-6-7-20-8-11(15)12(17)18/h2-5,11,16H,6-8H2,1H3,(H,17,18)
InChIKeyLSMGWZYSXHEQNB-UHFFFAOYSA-N
XLogP0.73
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]morpholine-3-carboxylic acid
CID 103871078
4-(3,5-dihydroxybenzoyl)morpholine-3-carboxylic acid
CID 107702659
2-[4-[(3-hydroxyphenyl)-methylcarbamoyl]morpholin-3-yl]acetic acid
CID 107737154
4-(dimethylaminocarbamoyl)morpholine-3-carboxylic acid
CID 83017669
(3S)-4-(3-methylthiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124513592
1-[methyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61186495
4-[2-ethoxyethyl(methyl)carbamoyl]morpholine-3-carboxylic acid
CID 81058113
(3R)-4-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]morpholine-3-carboxylic acid
CID 125150196
1-[(3-hydroxyphenyl)-methylcarbamoyl]piperidine-2-carboxylic acid
CID 107737239
(3S)-4-(pyridine-4-carbonyl)morpholine-3-carboxylic acid
CID 124513224
4-[2-(2,6-dimethylphenyl)acetyl]morpholine-3-carboxylic acid
CID 120686802
4-(4-propan-2-ylsulfinylbenzoyl)morpholine-3-carboxylic acid
CID 119216119

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenyl)-methylcarbamoyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[(4-hydroxyphenyl)-methylcarbamoyl]morpholine-3-carboxylic acid (CID 107737030) is 4-[(4-hydroxyphenyl)-methylcarbamoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[(4-hydroxyphenyl)-methylcarbamoyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[(4-hydroxyphenyl)-methylcarbamoyl]morpholine-3-carboxylic acid is CN(C(=O)N1CCOCC1C(=O)O)c1ccc(O)cc1.
What is the InChIKey of 4-[(4-hydroxyphenyl)-methylcarbamoyl]morpholine-3-carboxylic acid?
The InChIKey is LSMGWZYSXHEQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-14(9-2-4-10(16)5-3-9)13(19)15-6-7-20-8-11(15)12(17)18/h2-5,11,16H,6-8H2,1H3,(H,17,18).
What are the key properties of 4-[(4-hydroxyphenyl)-methylcarbamoyl]morpholine-3-carboxylic acid?
4-[(4-hydroxyphenyl)-methylcarbamoyl]morpholine-3-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)-methylcarbamoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 107737030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).