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

C15H19NO4 — CID 125153512

IUPAC(3S)-4-[(2S)-2-(3-methylphenyl)propanoyl]morpholine-3-carboxylic acid
SMILESCc1cccc([C@H](C)C(=O)N2CCOC[C@H]2C(=O)O)c1
InChIInChI=1S/C15H19NO4/c1-10-4-3-5-12(8-10)11(2)14(17)16-6-7-20-9-13(16)15(18)19/h3-5,8,11,13H,6-7,9H2,1-2H3,(H,18,19)/t11-,13-/m0/s1
InChIKeyUWUNTURQKBTLJC-AAEUAGOBSA-N
MW277.32 g/mol
LogP1.41
Rot. Bonds3

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

(3S)-4-[(2S)-2-(3-methylphenyl)propanoyl]morpholine-3-carboxylic acid (PubChem CID 125153512) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (3S)-4-[(2S)-2-(3-methylphenyl)propanoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-4-[(2S)-2-(3-methylphenyl)propanoyl]morpholine-3-carboxylic acid
PubChem CID125153512
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(3S)-4-[(2S)-2-(3-methylphenyl)propanoyl]morpholine-3-carboxylic acid
SMILESCc1cccc([C@H](C)C(=O)N2CCOC[C@H]2C(=O)O)c1
InChIInChI=1S/C15H19NO4/c1-10-4-3-5-12(8-10)11(2)14(17)16-6-7-20-9-13(16)15(18)19/h3-5,8,11,13H,6-7,9H2,1-2H3,(H,18,19)/t11-,13-/m0/s1
InChIKeyUWUNTURQKBTLJC-AAEUAGOBSA-N
XLogP1.41
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-4-[(2R)-2-(3-fluorophenyl)propanoyl]morpholine-3-carboxylic acid
CID 125154094
(3S)-4-[(2R)-2-(4-methoxyphenyl)propanoyl]morpholine-3-carboxylic acid
CID 125119447
4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxylic acid
CID 106312457
(3S)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carboxylic acid
CID 124513285
4-[2-(3-chlorophenyl)-2-methylsulfanylacetyl]morpholine-3-carboxylic acid
CID 166277065
(3S)-4-[3-(3-methylphenoxy)propanoyl]morpholine-3-carboxylic acid
CID 124513528
(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
4-[3-(2,4-dimethylphenyl)prop-2-enoyl]morpholine-3-carboxylic acid
CID 77073589
4-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholine-3-carboxylic acid
CID 119216253
(3S)-4-[(2S)-4-(3-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid
CID 125153431
4-[2-(2,6-dimethylphenyl)acetyl]morpholine-3-carboxylic acid
CID 120686802

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[(2S)-2-(3-methylphenyl)propanoyl]morpholine-3-carboxylic acid?
The IUPAC name of (3S)-4-[(2S)-2-(3-methylphenyl)propanoyl]morpholine-3-carboxylic acid (CID 125153512) is (3S)-4-[(2S)-2-(3-methylphenyl)propanoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3S)-4-[(2S)-2-(3-methylphenyl)propanoyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3S)-4-[(2S)-2-(3-methylphenyl)propanoyl]morpholine-3-carboxylic acid is Cc1cccc([C@H](C)C(=O)N2CCOC[C@H]2C(=O)O)c1.
What is the InChIKey of (3S)-4-[(2S)-2-(3-methylphenyl)propanoyl]morpholine-3-carboxylic acid?
The InChIKey is UWUNTURQKBTLJC-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10-4-3-5-12(8-10)11(2)14(17)16-6-7-20-9-13(16)15(18)19/h3-5,8,11,13H,6-7,9H2,1-2H3,(H,18,19)/t11-,13-/m0/s1.
What are the key properties of (3S)-4-[(2S)-2-(3-methylphenyl)propanoyl]morpholine-3-carboxylic acid?
(3S)-4-[(2S)-2-(3-methylphenyl)propanoyl]morpholine-3-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[(2S)-2-(3-methylphenyl)propanoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 125153512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).