(3R)-4-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]morpholine-3-carboxylic acid

C13H17NO4S — CID 125150196

IUPAC(3R)-4-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]morpholine-3-carboxylic acid
SMILESC[C@@H](Cc1cccs1)C(=O)N1CCOC[C@@H]1C(=O)O
InChIInChI=1S/C13H17NO4S/c1-9(7-10-3-2-6-19-10)12(15)14-4-5-18-8-11(14)13(16)17/h2-3,6,9,11H,4-5,7-8H2,1H3,(H,16,17)/t9-,11+/m0/s1
InChIKeyCFZQSLGCRGQMND-GXSJLCMTSA-N
MW283.35 g/mol
LogP1.24
Rot. Bonds4

About (3R)-4-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]morpholine-3-carboxylic acid

(3R)-4-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]morpholine-3-carboxylic acid (PubChem CID 125150196) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is (3R)-4-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-4-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]morpholine-3-carboxylic acid
PubChem CID125150196
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name(3R)-4-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]morpholine-3-carboxylic acid
SMILESC[C@@H](Cc1cccs1)C(=O)N1CCOC[C@@H]1C(=O)O
InChIInChI=1S/C13H17NO4S/c1-9(7-10-3-2-6-19-10)12(15)14-4-5-18-8-11(14)13(16)17/h2-3,6,9,11H,4-5,7-8H2,1H3,(H,16,17)/t9-,11+/m0/s1
InChIKeyCFZQSLGCRGQMND-GXSJLCMTSA-N
XLogP1.24
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]morpholine-3-carboxylic acid
CID 119216451
(3R)-4-[(2R)-2-methyl-4-phenoxybutanoyl]morpholine-3-carboxylic acid
CID 125133585
4-[4-(2-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid
CID 119216750
(3S)-4-[(2S)-4-(3-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid
CID 125153431
(3S)-4-(3-methylthiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124513592
(3R)-1-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid
CID 124576808
4-[2-(4-phenylphenoxy)propanoyl]morpholine-3-carboxylic acid
CID 119216684
(3S)-4-(2-ethylbenzoyl)morpholine-3-carboxylic acid
CID 124596295
4-(4-propan-2-ylsulfinylbenzoyl)morpholine-3-carboxylic acid
CID 119216119
3-ethyl-N-(2-methyl-3-thiophen-2-ylpropyl)morpholine-4-carboxamide
CID 71867990
(3S)-3-ethyl-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]morpholine-4-carboxamide
CID 95967466
(3S)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carboxylic acid
CID 124513285

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]morpholine-3-carboxylic acid?
The IUPAC name of (3R)-4-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]morpholine-3-carboxylic acid (CID 125150196) is (3R)-4-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3R)-4-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3R)-4-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]morpholine-3-carboxylic acid is C[C@@H](Cc1cccs1)C(=O)N1CCOC[C@@H]1C(=O)O.
What is the InChIKey of (3R)-4-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]morpholine-3-carboxylic acid?
The InChIKey is CFZQSLGCRGQMND-GXSJLCMTSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-9(7-10-3-2-6-19-10)12(15)14-4-5-18-8-11(14)13(16)17/h2-3,6,9,11H,4-5,7-8H2,1H3,(H,16,17)/t9-,11+/m0/s1.
What are the key properties of (3R)-4-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]morpholine-3-carboxylic acid?
(3R)-4-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]morpholine-3-carboxylic acid has a molecular weight of 283.35 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 125150196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).