4-[2-(2-methoxyphenoxy)propylcarbamoyl]morpholine-2-carboxylic acid

C16H22N2O6 — CID 139013682

IUPAC4-[2-(2-methoxyphenoxy)propylcarbamoyl]morpholine-2-carboxylic acid
SMILESCOc1ccccc1OC(C)CNC(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C16H22N2O6/c1-11(24-13-6-4-3-5-12(13)22-2)9-17-16(21)18-7-8-23-14(10-18)15(19)20/h3-6,11,14H,7-10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyBGYQPDRKLGCYQC-UHFFFAOYSA-N
MW338.36 g/mol
LogP0.96
Rot. Bonds6

About 4-[2-(2-methoxyphenoxy)propylcarbamoyl]morpholine-2-carboxylic acid

4-[2-(2-methoxyphenoxy)propylcarbamoyl]morpholine-2-carboxylic acid (PubChem CID 139013682) has the molecular formula C16H22N2O6 and a molecular weight of 338.36 g/mol. Its IUPAC name is 4-[2-(2-methoxyphenoxy)propylcarbamoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-methoxyphenoxy)propylcarbamoyl]morpholine-2-carboxylic acid
PubChem CID139013682
Molecular FormulaC16H22N2O6
Molecular Weight338.36 g/mol
Exact Mass338.15
IUPAC Name4-[2-(2-methoxyphenoxy)propylcarbamoyl]morpholine-2-carboxylic acid
SMILESCOc1ccccc1OC(C)CNC(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C16H22N2O6/c1-11(24-13-6-4-3-5-12(13)22-2)9-17-16(21)18-7-8-23-14(10-18)15(19)20/h3-6,11,14H,7-10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyBGYQPDRKLGCYQC-UHFFFAOYSA-N
XLogP0.96
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]morpholine-2-carboxylic acid
CID 102907152
(2S)-4-[(3S)-3-(2-methoxyphenyl)butanoyl]morpholine-2-carboxylic acid
CID 125151293
2-cyclopropyl-N-[2-(2-methoxyphenoxy)propyl]-6-methylmorpholine-4-carboxamide
CID 136538659
(2S)-4-[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]morpholine-2-carboxylic acid
CID 125150978
N-[2-(2-bromophenoxy)propyl]-2-cyanomorpholine-4-carboxamide
CID 136512597
4-[3-(2-butan-2-yloxyphenyl)prop-2-enoyl]morpholine-2-carboxylic acid
CID 126794452
(2S)-4-[(2R)-2-(2-methylphenoxy)butanoyl]morpholine-2-carboxylic acid
CID 125148922
(2S)-N-[(2S)-3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methylmorpholine-4-carboxamide
CID 95760588
N-[2-(2-methoxyphenoxy)propyl]-N'-methyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide
CID 111503339
1-(2-phenoxypropylcarbamoyl)piperidine-3-carboxylic acid
CID 122002158
methyl 4-[(2-methoxyphenyl)carbamoyl]morpholine-2-carboxylate
CID 78927066
4-[3-(difluoromethoxy)-4-methoxybenzoyl]morpholine-2-carboxylic acid
CID 119238801

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyphenoxy)propylcarbamoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[2-(2-methoxyphenoxy)propylcarbamoyl]morpholine-2-carboxylic acid (CID 139013682) is 4-[2-(2-methoxyphenoxy)propylcarbamoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[2-(2-methoxyphenoxy)propylcarbamoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[2-(2-methoxyphenoxy)propylcarbamoyl]morpholine-2-carboxylic acid is COc1ccccc1OC(C)CNC(=O)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-[2-(2-methoxyphenoxy)propylcarbamoyl]morpholine-2-carboxylic acid?
The InChIKey is BGYQPDRKLGCYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O6/c1-11(24-13-6-4-3-5-12(13)22-2)9-17-16(21)18-7-8-23-14(10-18)15(19)20/h3-6,11,14H,7-10H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 4-[2-(2-methoxyphenoxy)propylcarbamoyl]morpholine-2-carboxylic acid?
4-[2-(2-methoxyphenoxy)propylcarbamoyl]morpholine-2-carboxylic acid has a molecular weight of 338.36 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyphenoxy)propylcarbamoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 139013682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).