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

C15H19NO5 — CID 125119447

IUPAC(3S)-4-[(2R)-2-(4-methoxyphenyl)propanoyl]morpholine-3-carboxylic acid
SMILESCOc1ccc([C@@H](C)C(=O)N2CCOC[C@H]2C(=O)O)cc1
InChIInChI=1S/C15H19NO5/c1-10(11-3-5-12(20-2)6-4-11)14(17)16-7-8-21-9-13(16)15(18)19/h3-6,10,13H,7-9H2,1-2H3,(H,18,19)/t10-,13+/m1/s1
InChIKeyRSFVQVPTMLPDBZ-MFKMUULPSA-N
MW293.32 g/mol
LogP1.11
Rot. Bonds4

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

(3S)-4-[(2R)-2-(4-methoxyphenyl)propanoyl]morpholine-3-carboxylic acid (PubChem CID 125119447) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is (3S)-4-[(2R)-2-(4-methoxyphenyl)propanoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-4-[(2R)-2-(4-methoxyphenyl)propanoyl]morpholine-3-carboxylic acid
PubChem CID125119447
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name(3S)-4-[(2R)-2-(4-methoxyphenyl)propanoyl]morpholine-3-carboxylic acid
SMILESCOc1ccc([C@@H](C)C(=O)N2CCOC[C@H]2C(=O)O)cc1
InChIInChI=1S/C15H19NO5/c1-10(11-3-5-12(20-2)6-4-11)14(17)16-7-8-21-9-13(16)15(18)19/h3-6,10,13H,7-9H2,1-2H3,(H,18,19)/t10-,13+/m1/s1
InChIKeyRSFVQVPTMLPDBZ-MFKMUULPSA-N
XLogP1.11
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-4-[(2S)-2-(3-methylphenyl)propanoyl]morpholine-3-carboxylic acid
CID 125153512
(3S)-4-[(2R)-2-(3-fluorophenyl)propanoyl]morpholine-3-carboxylic acid
CID 125154094
(3S)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carboxylic acid
CID 124513285
(3S)-4-[4-(4-methoxyphenyl)butanoyl]morpholine-3-carboxylic acid
CID 125133614
4-[2-(4-phenylphenoxy)propanoyl]morpholine-3-carboxylic acid
CID 119216684
(2S)-1-[2-(6-methoxynaphthalen-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365455
(3R)-4-[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]morpholine-3-carboxylic acid
CID 125133126
4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxylic acid
CID 106312457
(3R)-2-[(2R)-2-(4-methoxyphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 124691341
(3R)-4-[(2R)-2-methyl-4-phenoxybutanoyl]morpholine-3-carboxylic acid
CID 125133585
(3S)-4-[(2S)-2-(3-fluorophenoxy)propanoyl]morpholine-3-carboxylic acid
CID 124513571
(3R)-4-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]morpholine-3-carboxylic acid
CID 125153746

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[(2R)-2-(4-methoxyphenyl)propanoyl]morpholine-3-carboxylic acid?
The IUPAC name of (3S)-4-[(2R)-2-(4-methoxyphenyl)propanoyl]morpholine-3-carboxylic acid (CID 125119447) is (3S)-4-[(2R)-2-(4-methoxyphenyl)propanoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3S)-4-[(2R)-2-(4-methoxyphenyl)propanoyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3S)-4-[(2R)-2-(4-methoxyphenyl)propanoyl]morpholine-3-carboxylic acid is COc1ccc([C@@H](C)C(=O)N2CCOC[C@H]2C(=O)O)cc1.
What is the InChIKey of (3S)-4-[(2R)-2-(4-methoxyphenyl)propanoyl]morpholine-3-carboxylic acid?
The InChIKey is RSFVQVPTMLPDBZ-MFKMUULPSA-N. The full InChI is InChI=1S/C15H19NO5/c1-10(11-3-5-12(20-2)6-4-11)14(17)16-7-8-21-9-13(16)15(18)19/h3-6,10,13H,7-9H2,1-2H3,(H,18,19)/t10-,13+/m1/s1.
What are the key properties of (3S)-4-[(2R)-2-(4-methoxyphenyl)propanoyl]morpholine-3-carboxylic acid?
(3S)-4-[(2R)-2-(4-methoxyphenyl)propanoyl]morpholine-3-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[(2R)-2-(4-methoxyphenyl)propanoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 125119447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).