5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid

C11H19NO4 — CID 126662409

IUPAC5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid
SMILESCC(C)[C@H]1COC(=O)N1CCCCC(=O)O
InChIInChI=1S/C11H19NO4/c1-8(2)9-7-16-11(15)12(9)6-4-3-5-10(13)14/h8-9H,3-7H2,1-2H3,(H,13,14)/t9-/m1/s1
InChIKeyOYBDLBROZGCEJR-SECBINFHSA-N
MW229.28 g/mol
LogP1.72
Rot. Bonds6

About 5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid

5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid (PubChem CID 126662409) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid.

Molecular Properties

Compound Name5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid
PubChem CID126662409
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid
SMILESCC(C)[C@H]1COC(=O)N1CCCCC(=O)O
InChIInChI=1S/C11H19NO4/c1-8(2)9-7-16-11(15)12(9)6-4-3-5-10(13)14/h8-9H,3-7H2,1-2H3,(H,13,14)/t9-/m1/s1
InChIKeyOYBDLBROZGCEJR-SECBINFHSA-N
XLogP1.72
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic 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-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]acetaldehyde
CID 58821279
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
4-propan-2-yl-3-(2-thiophen-2-ylethyl)-1,3-oxazolidin-2-one
CID 13476319
(4S)-3-hept-6-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11053746
3-[[2-[(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)methyl]phenyl]methyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 138601243
3-(2-oxo-3-propan-2-yl-1,3-oxazinan-5-yl)propanoic acid
CID 117011202
2,2-dimethyl-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid
CID 118343251
3-(3-hydroxypropyl)-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 115102311
(4S)-3-(2-fluoroprop-2-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 45080957
3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]octanoic acid
CID 20779374
(4R)-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11010755

Frequently Asked Questions

What is the IUPAC name of 5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid?
The IUPAC name of 5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid (CID 126662409) is 5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid.
What is the SMILES notation for 5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid?
The canonical SMILES for 5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid is CC(C)[C@H]1COC(=O)N1CCCCC(=O)O.
What is the InChIKey of 5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid?
The InChIKey is OYBDLBROZGCEJR-SECBINFHSA-N. The full InChI is InChI=1S/C11H19NO4/c1-8(2)9-7-16-11(15)12(9)6-4-3-5-10(13)14/h8-9H,3-7H2,1-2H3,(H,13,14)/t9-/m1/s1.
What are the key properties of 5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid?
5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid has a molecular weight of 229.28 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid is sourced from PubChem (CID 126662409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).