4-[(4-methoxyphenyl)-methylcarbamoyl]morpholine-2-carboxylic acid

C14H18N2O5 — CID 62003252

IUPAC4-[(4-methoxyphenyl)-methylcarbamoyl]morpholine-2-carboxylic acid
SMILESCOc1ccc(N(C)C(=O)N2CCOC(C(=O)O)C2)cc1
InChIInChI=1S/C14H18N2O5/c1-15(10-3-5-11(20-2)6-4-10)14(19)16-7-8-21-12(9-16)13(17)18/h3-6,12H,7-9H2,1-2H3,(H,17,18)
InChIKeyBFICZVHZTKOCJN-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.04
Rot. Bonds3

About 4-[(4-methoxyphenyl)-methylcarbamoyl]morpholine-2-carboxylic acid

4-[(4-methoxyphenyl)-methylcarbamoyl]morpholine-2-carboxylic acid (PubChem CID 62003252) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)-methylcarbamoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)-methylcarbamoyl]morpholine-2-carboxylic acid
PubChem CID62003252
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name4-[(4-methoxyphenyl)-methylcarbamoyl]morpholine-2-carboxylic acid
SMILESCOc1ccc(N(C)C(=O)N2CCOC(C(=O)O)C2)cc1
InChIInChI=1S/C14H18N2O5/c1-15(10-3-5-11(20-2)6-4-10)14(19)16-7-8-21-12(9-16)13(17)18/h3-6,12H,7-9H2,1-2H3,(H,17,18)
InChIKeyBFICZVHZTKOCJN-UHFFFAOYSA-N
XLogP1.04
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(4-methoxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120360
(2R)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441017
(2S)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441015
(2S)-4-[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]morpholine-2-carboxylic acid
CID 125120584
4-(5-methoxy-3-methyl-1-benzothiophene-2-carbonyl)morpholine-2-carboxylic acid
CID 119239356
4-[3-(4-methoxyphenyl)adamantane-1-carbonyl]morpholine-2-carboxylic acid
CID 119357938
(2R)-4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)morpholine-2-carboxylic acid
CID 125151943
(2S)-4-[3-(3,5-dimethoxyphenyl)propanoyl]morpholine-2-carboxylic acid
CID 125120675
4-[methyl(2-propan-2-yloxyethyl)carbamoyl]morpholine-2-carboxylic acid
CID 81061396
4-acetylmorpholine-2-carboxylic acid
CID 20598078
(4-methoxyphenyl)-methylcarbamic acid
CID 22047987
4-[2-(2-methoxyphenoxy)propylcarbamoyl]morpholine-2-carboxylic acid
CID 139013682

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)-methylcarbamoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[(4-methoxyphenyl)-methylcarbamoyl]morpholine-2-carboxylic acid (CID 62003252) is 4-[(4-methoxyphenyl)-methylcarbamoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[(4-methoxyphenyl)-methylcarbamoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[(4-methoxyphenyl)-methylcarbamoyl]morpholine-2-carboxylic acid is COc1ccc(N(C)C(=O)N2CCOC(C(=O)O)C2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)-methylcarbamoyl]morpholine-2-carboxylic acid?
The InChIKey is BFICZVHZTKOCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-15(10-3-5-11(20-2)6-4-10)14(19)16-7-8-21-12(9-16)13(17)18/h3-6,12H,7-9H2,1-2H3,(H,17,18).
What are the key properties of 4-[(4-methoxyphenyl)-methylcarbamoyl]morpholine-2-carboxylic acid?
4-[(4-methoxyphenyl)-methylcarbamoyl]morpholine-2-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)-methylcarbamoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 62003252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).