2-[(3R)-4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoyl]thiomorpholin-3-yl]acetic acid

C14H19N3O4S — CID 97233991

IUPAC2-[(3R)-4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoyl]thiomorpholin-3-yl]acetic acid
SMILESO=C(O)C[C@@H]1CSCCN1C(=O)CCc1nc(C2CC2)no1
InChIInChI=1S/C14H19N3O4S/c18-12(17-5-6-22-8-10(17)7-13(19)20)4-3-11-15-14(16-21-11)9-1-2-9/h9-10H,1-8H2,(H,19,20)/t10-/m1/s1
InChIKeyOMINAOJGFPWHHD-SNVBAGLBSA-N
MW325.39 g/mol
LogP1.30
Rot. Bonds6

About 2-[(3R)-4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoyl]thiomorpholin-3-yl]acetic acid

2-[(3R)-4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoyl]thiomorpholin-3-yl]acetic acid (PubChem CID 97233991) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-[(3R)-4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoyl]thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoyl]thiomorpholin-3-yl]acetic acid
PubChem CID97233991
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC Name2-[(3R)-4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoyl]thiomorpholin-3-yl]acetic acid
SMILESO=C(O)C[C@@H]1CSCCN1C(=O)CCc1nc(C2CC2)no1
InChIInChI=1S/C14H19N3O4S/c18-12(17-5-6-22-8-10(17)7-13(19)20)4-3-11-15-14(16-21-11)9-1-2-9/h9-10H,1-8H2,(H,19,20)/t10-/m1/s1
InChIKeyOMINAOJGFPWHHD-SNVBAGLBSA-N
XLogP1.30
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3R)-4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoyl]thiomorpholin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]thiomorpholin-3-yl]acetic acid
CID 119210763
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 166211937
2-[4-[3-(1,3-thiazol-4-yl)propanoyl]thiomorpholin-3-yl]acetic acid
CID 119210279
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 64982441
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 65390508
2-[4-(2-methylsulfanylacetyl)thiomorpholin-3-yl]acetic acid
CID 66443082
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-one
CID 63346459
2-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]thiomorpholin-3-yl]acetic acid
CID 119210069
1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylic acid
CID 167988619
2-(4-decanoylthiomorpholin-3-yl)acetic acid
CID 66444636
2-[4-(2-cycloheptylacetyl)thiomorpholin-3-yl]acetic acid
CID 115909820
2-[4-(4-aminopentanoyl)thiomorpholin-3-yl]acetic acid
CID 66443584

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoyl]thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[(3R)-4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoyl]thiomorpholin-3-yl]acetic acid (CID 97233991) is 2-[(3R)-4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoyl]thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoyl]thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[(3R)-4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoyl]thiomorpholin-3-yl]acetic acid is O=C(O)C[C@@H]1CSCCN1C(=O)CCc1nc(C2CC2)no1.
What is the InChIKey of 2-[(3R)-4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoyl]thiomorpholin-3-yl]acetic acid?
The InChIKey is OMINAOJGFPWHHD-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19N3O4S/c18-12(17-5-6-22-8-10(17)7-13(19)20)4-3-11-15-14(16-21-11)9-1-2-9/h9-10H,1-8H2,(H,19,20)/t10-/m1/s1.
What are the key properties of 2-[(3R)-4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoyl]thiomorpholin-3-yl]acetic acid?
2-[(3R)-4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoyl]thiomorpholin-3-yl]acetic acid has a molecular weight of 325.39 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoyl]thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 97233991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).