3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]octanoic acid

C15H25NO5 — CID 20779374

IUPAC3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]octanoic acid
SMILESCCCCCC(CC(=O)O)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C15H25NO5/c1-4-5-6-7-11(8-13(17)18)14(19)16-12(10(2)3)9-21-15(16)20/h10-12H,4-9H2,1-3H3,(H,17,18)/t11?,12-/m1/s1
InChIKeyYJDJEFMDEXJZPM-PIJUOVFKSA-N
MW299.37 g/mol
LogP2.66
Rot. Bonds8

About 3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]octanoic acid

3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]octanoic acid (PubChem CID 20779374) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]octanoic acid.

Molecular Properties

Compound Name3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]octanoic acid
PubChem CID20779374
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Name3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]octanoic acid
SMILESCCCCCC(CC(=O)O)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C15H25NO5/c1-4-5-6-7-11(8-13(17)18)14(19)16-12(10(2)3)9-21-15(16)20/h10-12H,4-9H2,1-3H3,(H,17,18)/t11?,12-/m1/s1
InChIKeyYJDJEFMDEXJZPM-PIJUOVFKSA-N
XLogP2.66
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]octanoic 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

(4S)-3-(3-hydroxydecanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15400986
tert-butyl (2S)-2-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]octanoate
CID 124638547
tert-butyl (2S)-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]octanoate
CID 124638549
(4S)-3-[(2S)-2-phenylselanylheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 23256057
3-heptanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 22490329
(4R)-3-pentanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 139919284
2-methyl-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentane-1,3-dione
CID 10444361
(4S)-3-(2,2-dichloroacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 44889097
(4S)-3-(2-fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 77106963
(4S)-4-propan-2-yl-3-[(2S)-2-(trideuteriomethyl)butanoyl]-1,3-oxazolidin-2-one
CID 131667934
(4S)-4-propan-2-yl-3-(3,3,3-trideuterio-2-methylpropanoyl)-1,3-oxazolidin-2-one
CID 25239998
(4S)-3-[(2R,3R)-3-hydroxy-2,4,4-trimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15706456

Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]octanoic acid?
The IUPAC name of 3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]octanoic acid (CID 20779374) is 3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]octanoic acid.
What is the SMILES notation for 3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]octanoic acid?
The canonical SMILES for 3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]octanoic acid is CCCCCC(CC(=O)O)C(=O)N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of 3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]octanoic acid?
The InChIKey is YJDJEFMDEXJZPM-PIJUOVFKSA-N. The full InChI is InChI=1S/C15H25NO5/c1-4-5-6-7-11(8-13(17)18)14(19)16-12(10(2)3)9-21-15(16)20/h10-12H,4-9H2,1-3H3,(H,17,18)/t11?,12-/m1/s1.
What are the key properties of 3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]octanoic acid?
3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]octanoic acid has a molecular weight of 299.37 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]octanoic acid is sourced from PubChem (CID 20779374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).