(3R)-4-[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]morpholine-3-carboxylic acid

C16H21NO6 — CID 125133126

IUPAC(3R)-4-[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]morpholine-3-carboxylic acid
SMILESCOc1cccc(CO[C@H](C)C(=O)N2CCOC[C@@H]2C(=O)O)c1
InChIInChI=1S/C16H21NO6/c1-11(23-9-12-4-3-5-13(8-12)21-2)15(18)17-6-7-22-10-14(17)16(19)20/h3-5,8,11,14H,6-7,9-10H2,1-2H3,(H,19,20)/t11-,14-/m1/s1
InChIKeyFIUUZPNOMUDCNN-BXUZGUMPSA-N
MW323.34 g/mol
LogP0.91
Rot. Bonds6

About (3R)-4-[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]morpholine-3-carboxylic acid

(3R)-4-[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]morpholine-3-carboxylic acid (PubChem CID 125133126) has the molecular formula C16H21NO6 and a molecular weight of 323.34 g/mol. Its IUPAC name is (3R)-4-[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-4-[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]morpholine-3-carboxylic acid
PubChem CID125133126
Molecular FormulaC16H21NO6
Molecular Weight323.34 g/mol
Exact Mass323.14
IUPAC Name(3R)-4-[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]morpholine-3-carboxylic acid
SMILESCOc1cccc(CO[C@H](C)C(=O)N2CCOC[C@@H]2C(=O)O)c1
InChIInChI=1S/C16H21NO6/c1-11(23-9-12-4-3-5-13(8-12)21-2)15(18)17-6-7-22-10-14(17)16(19)20/h3-5,8,11,14H,6-7,9-10H2,1-2H3,(H,19,20)/t11-,14-/m1/s1
InChIKeyFIUUZPNOMUDCNN-BXUZGUMPSA-N
XLogP0.91
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-4-[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]morpholine-3-carboxylic acid with MolForge

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Related Compounds

(2R)-1-[2-[(3-methoxyphenyl)methoxy]propanoyl]pyrrolidine-2-carboxylic acid
CID 119371716
(3S)-4-[(2S)-2-(3-fluorophenoxy)propanoyl]morpholine-3-carboxylic acid
CID 124513571
4-[2-(3-methoxyphenoxy)acetyl]morpholine-3-carboxylic acid
CID 119216678
(3S)-4-[(2R)-2-(4-methoxyphenyl)propanoyl]morpholine-3-carboxylic acid
CID 125119447
(3R)-4-[3-(methoxymethyl)benzoyl]morpholine-3-carboxylic acid
CID 124513663
1-(4-aminopiperidin-1-yl)-2-[(3-methoxyphenyl)methoxy]propan-1-one;hydrochloride
CID 119374710
4-[2-(4-phenylphenoxy)propanoyl]morpholine-3-carboxylic acid
CID 119216684
1-[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]piperidine-4-carboxamide
CID 39717828
(3R)-4-[(2R)-2-methyl-4-phenoxybutanoyl]morpholine-3-carboxylic acid
CID 125133585
(3S)-4-[(2S)-4-(3-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid
CID 125153431
2-[(3-methoxyphenyl)methoxy]-1-phenylpropan-1-one
CID 62030765
(3S)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carboxylic acid
CID 124513285

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]morpholine-3-carboxylic acid?
The IUPAC name of (3R)-4-[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]morpholine-3-carboxylic acid (CID 125133126) is (3R)-4-[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3R)-4-[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3R)-4-[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]morpholine-3-carboxylic acid is COc1cccc(CO[C@H](C)C(=O)N2CCOC[C@@H]2C(=O)O)c1.
What is the InChIKey of (3R)-4-[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]morpholine-3-carboxylic acid?
The InChIKey is FIUUZPNOMUDCNN-BXUZGUMPSA-N. The full InChI is InChI=1S/C16H21NO6/c1-11(23-9-12-4-3-5-13(8-12)21-2)15(18)17-6-7-22-10-14(17)16(19)20/h3-5,8,11,14H,6-7,9-10H2,1-2H3,(H,19,20)/t11-,14-/m1/s1.
What are the key properties of (3R)-4-[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]morpholine-3-carboxylic acid?
(3R)-4-[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]morpholine-3-carboxylic acid has a molecular weight of 323.34 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 125133126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).