2,3-dimethyl-2-(1,3-oxazolidin-2-yl)butanoic acid

C9H17NO3 — CID 154159937

IUPAC2,3-dimethyl-2-(1,3-oxazolidin-2-yl)butanoic acid
SMILESCC(C)C(C)(C(=O)O)C1NCCO1
InChIInChI=1S/C9H17NO3/c1-6(2)9(3,8(11)12)7-10-4-5-13-7/h6-7,10H,4-5H2,1-3H3,(H,11,12)
InChIKeyXKTMQUCGZUYYQB-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.68
Rot. Bonds3

About 2,3-dimethyl-2-(1,3-oxazolidin-2-yl)butanoic acid

2,3-dimethyl-2-(1,3-oxazolidin-2-yl)butanoic acid (PubChem CID 154159937) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2,3-dimethyl-2-(1,3-oxazolidin-2-yl)butanoic acid.

Molecular Properties

Compound Name2,3-dimethyl-2-(1,3-oxazolidin-2-yl)butanoic acid
PubChem CID154159937
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2,3-dimethyl-2-(1,3-oxazolidin-2-yl)butanoic acid
SMILESCC(C)C(C)(C(=O)O)C1NCCO1
InChIInChI=1S/C9H17NO3/c1-6(2)9(3,8(11)12)7-10-4-5-13-7/h6-7,10H,4-5H2,1-3H3,(H,11,12)
InChIKeyXKTMQUCGZUYYQB-UHFFFAOYSA-N
XLogP0.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,3-dimethyl-2-(1,3-oxazolidin-2-yl)butanoic 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-methyl-2-(1,3-oxazolidin-2-yl)propyl] 2-methylprop-2-enoate
CID 57047759
(2R)-1,3-oxazolidine-2-carboxylic acid
CID 69270912
2-methyl-4-(1,3-oxazolidin-2-yl)pent-2-enoic acid
CID 67852972
2-methylmorpholine;2,2,2-trifluoroacetic acid
CID 68841730
2-(1,3-oxazolidin-2-yl)-2-oxoacetic acid
CID 174974920
2-tert-butyl-1,3-oxazepane
CID 154614408
(3-methylmorpholin-2-yl) 2-methylpropanoate
CID 174920145
(2S)-3,3-dimethyl-2-[(2-morpholin-2-ylacetyl)amino]butanoic acid
CID 66429146
2,3-dimethyl-2-(oxan-4-yl)butanamide
CID 126509080
3-[(4aS,7aS)-5-oxo-2,3,4,4a,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-2,2-dimethylpropanoic acid
CID 167292199
tert-butyl (4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine-6-carboxylate
CID 95002398
phenyl 2-(1,3-oxazolidin-2-yl)propanoate
CID 70600642

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-(1,3-oxazolidin-2-yl)butanoic acid?
The IUPAC name of 2,3-dimethyl-2-(1,3-oxazolidin-2-yl)butanoic acid (CID 154159937) is 2,3-dimethyl-2-(1,3-oxazolidin-2-yl)butanoic acid.
What is the SMILES notation for 2,3-dimethyl-2-(1,3-oxazolidin-2-yl)butanoic acid?
The canonical SMILES for 2,3-dimethyl-2-(1,3-oxazolidin-2-yl)butanoic acid is CC(C)C(C)(C(=O)O)C1NCCO1.
What is the InChIKey of 2,3-dimethyl-2-(1,3-oxazolidin-2-yl)butanoic acid?
The InChIKey is XKTMQUCGZUYYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-6(2)9(3,8(11)12)7-10-4-5-13-7/h6-7,10H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 2,3-dimethyl-2-(1,3-oxazolidin-2-yl)butanoic acid?
2,3-dimethyl-2-(1,3-oxazolidin-2-yl)butanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-(1,3-oxazolidin-2-yl)butanoic acid is sourced from PubChem (CID 154159937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).