(3S)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carboxylic acid

C14H17NO5 — CID 124513285

IUPAC(3S)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carboxylic acid
SMILESCO[C@H](C(=O)N1CCOC[C@H]1C(=O)O)c1ccccc1
InChIInChI=1S/C14H17NO5/c1-19-12(10-5-3-2-4-6-10)13(16)15-7-8-20-9-11(15)14(17)18/h2-6,11-12H,7-9H2,1H3,(H,17,18)/t11-,12-/m0/s1
InChIKeyZGFFKXHHTYMTPD-RYUDHWBXSA-N
MW279.29 g/mol
LogP0.69
Rot. Bonds4

About (3S)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carboxylic acid

(3S)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carboxylic acid (PubChem CID 124513285) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is (3S)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carboxylic acid
PubChem CID124513285
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name(3S)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carboxylic acid
SMILESCO[C@H](C(=O)N1CCOC[C@H]1C(=O)O)c1ccccc1
InChIInChI=1S/C14H17NO5/c1-19-12(10-5-3-2-4-6-10)13(16)15-7-8-20-9-11(15)14(17)18/h2-6,11-12H,7-9H2,1H3,(H,17,18)/t11-,12-/m0/s1
InChIKeyZGFFKXHHTYMTPD-RYUDHWBXSA-N
XLogP0.69
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carbonitrile
CID 97347582
(3S)-4-[(2R)-2-(4-methoxyphenyl)propanoyl]morpholine-3-carboxylic acid
CID 125119447
(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
4-[2-(4-phenylphenoxy)propanoyl]morpholine-3-carboxylic acid
CID 119216684
4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxylic acid
CID 106312457
(3R)-4-[(2R)-2-methyl-4-phenoxybutanoyl]morpholine-3-carboxylic acid
CID 125133585
2-hydroxy-1-(3-methylmorpholin-4-yl)-2-phenylethanone
CID 111432313
1-(2-methoxy-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid
CID 106741791
4-[2-(3-chlorophenyl)-2-methylsulfanylacetyl]morpholine-3-carboxylic acid
CID 166277065
(3S)-4-[(2S)-2-(3-fluorophenoxy)propanoyl]morpholine-3-carboxylic acid
CID 124513571
(3R)-4-[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]morpholine-3-carboxylic acid
CID 125133126

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carboxylic acid?
The IUPAC name of (3S)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carboxylic acid (CID 124513285) is (3S)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3S)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3S)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carboxylic acid is CO[C@H](C(=O)N1CCOC[C@H]1C(=O)O)c1ccccc1.
What is the InChIKey of (3S)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carboxylic acid?
The InChIKey is ZGFFKXHHTYMTPD-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H17NO5/c1-19-12(10-5-3-2-4-6-10)13(16)15-7-8-20-9-11(15)14(17)18/h2-6,11-12H,7-9H2,1H3,(H,17,18)/t11-,12-/m0/s1.
What are the key properties of (3S)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carboxylic acid?
(3S)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carboxylic acid has a molecular weight of 279.29 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 124513285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).