2-[4-[3-(oxan-4-yloxy)propanoyl]thiomorpholin-3-yl]acetic acid

C14H23NO5S — CID 120520657

IUPAC2-[4-[3-(oxan-4-yloxy)propanoyl]thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1C(=O)CCOC1CCOCC1
InChIInChI=1S/C14H23NO5S/c16-13(3-7-20-12-1-5-19-6-2-12)15-4-8-21-10-11(15)9-14(17)18/h11-12H,1-10H2,(H,17,18)
InChIKeyAQFRRIZOYNHEQX-UHFFFAOYSA-N
MW317.41 g/mol
LogP0.99
Rot. Bonds6

About 2-[4-[3-(oxan-4-yloxy)propanoyl]thiomorpholin-3-yl]acetic acid

2-[4-[3-(oxan-4-yloxy)propanoyl]thiomorpholin-3-yl]acetic acid (PubChem CID 120520657) has the molecular formula C14H23NO5S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-[4-[3-(oxan-4-yloxy)propanoyl]thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(oxan-4-yloxy)propanoyl]thiomorpholin-3-yl]acetic acid
PubChem CID120520657
Molecular FormulaC14H23NO5S
Molecular Weight317.41 g/mol
Exact Mass317.13
IUPAC Name2-[4-[3-(oxan-4-yloxy)propanoyl]thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1C(=O)CCOC1CCOCC1
InChIInChI=1S/C14H23NO5S/c16-13(3-7-20-12-1-5-19-6-2-12)15-4-8-21-10-11(15)9-14(17)18/h11-12H,1-10H2,(H,17,18)
InChIKeyAQFRRIZOYNHEQX-UHFFFAOYSA-N
XLogP0.99
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[3-(oxan-4-yloxy)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-decanoylthiomorpholin-3-yl)acetic acid
CID 66444636
2-(4-nonanoylthiomorpholin-3-yl)acetic acid
CID 66445249
2-[4-(oxolane-3-carbonyl)thiomorpholin-3-yl]acetic acid
CID 66444452
2-[4-[2-(2-methoxyethoxy)acetyl]thiomorpholin-3-yl]acetic acid
CID 66443894
2-[4-(2-cycloheptylacetyl)thiomorpholin-3-yl]acetic acid
CID 115909820
2-[4-[2-(cyclopropylmethoxy)acetyl]thiomorpholin-3-yl]acetic acid
CID 119210529
2-[4-(4-aminopentanoyl)thiomorpholin-3-yl]acetic acid
CID 66443584
2-[4-(2-methylsulfanylacetyl)thiomorpholin-3-yl]acetic acid
CID 66443082
2-[(3R)-4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoyl]thiomorpholin-3-yl]acetic acid
CID 97233991
2-[4-[2-(2-methoxyethylamino)acetyl]thiomorpholin-3-yl]acetic acid
CID 79291484
2-[4-[3-(furan-2-yl)propanoyl]thiomorpholin-3-yl]acetic acid
CID 66443081
2-(4-ethoxycarbonylthiomorpholin-3-yl)acetic acid
CID 66444292

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(oxan-4-yloxy)propanoyl]thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[3-(oxan-4-yloxy)propanoyl]thiomorpholin-3-yl]acetic acid (CID 120520657) is 2-[4-[3-(oxan-4-yloxy)propanoyl]thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-(oxan-4-yloxy)propanoyl]thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[3-(oxan-4-yloxy)propanoyl]thiomorpholin-3-yl]acetic acid is O=C(O)CC1CSCCN1C(=O)CCOC1CCOCC1.
What is the InChIKey of 2-[4-[3-(oxan-4-yloxy)propanoyl]thiomorpholin-3-yl]acetic acid?
The InChIKey is AQFRRIZOYNHEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5S/c16-13(3-7-20-12-1-5-19-6-2-12)15-4-8-21-10-11(15)9-14(17)18/h11-12H,1-10H2,(H,17,18).
What are the key properties of 2-[4-[3-(oxan-4-yloxy)propanoyl]thiomorpholin-3-yl]acetic acid?
2-[4-[3-(oxan-4-yloxy)propanoyl]thiomorpholin-3-yl]acetic acid has a molecular weight of 317.41 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(oxan-4-yloxy)propanoyl]thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 120520657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).