(4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid

C9H16FNO3 — CID 86705178

IUPAC(4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCC[C@H](F)[C@H]1COC(C)(C)N1C(=O)O
InChIInChI=1S/C9H16FNO3/c1-4-6(10)7-5-14-9(2,3)11(7)8(12)13/h6-7H,4-5H2,1-3H3,(H,12,13)/t6-,7+/m0/s1
InChIKeyPXLLZMASLPRRAS-NKWVEPMBSA-N
MW205.23 g/mol
LogP1.85
Rot. Bonds2

About (4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid

(4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (PubChem CID 86705178) has the molecular formula C9H16FNO3 and a molecular weight of 205.23 g/mol. Its IUPAC name is (4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name(4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
PubChem CID86705178
Molecular FormulaC9H16FNO3
Molecular Weight205.23 g/mol
Exact Mass205.11
IUPAC Name(4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCC[C@H](F)[C@H]1COC(C)(C)N1C(=O)O
InChIInChI=1S/C9H16FNO3/c1-4-6(10)7-5-14-9(2,3)11(7)8(12)13/h6-7H,4-5H2,1-3H3,(H,12,13)/t6-,7+/m0/s1
InChIKeyPXLLZMASLPRRAS-NKWVEPMBSA-N
XLogP1.85
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic 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)-4-[(1S)-1-hydroxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 18646911
(4R)-4-[1-(dimethylamino)-1-oxopropan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 69481433
(4S)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 57042631
4-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 22352321
(4S)-4-(ethylaminomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 90450549
4-(2-hydroxy-2-methylpropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 67188865
4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 23157098
tert-butyl (4S)-4-[(1S,2R)-1,2-dihydroxybutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11449120
4-(2-methoxy-2-oxoethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 67191035
4-(2,2-dimethylpropanoyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 19385104
4-(3-ethoxy-3-oxoprop-1-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 77218696
(4S)-4-(3-carboxy-2,2-dimethylpropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 68653260

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of (4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (CID 86705178) is (4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for (4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for (4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is CC[C@H](F)[C@H]1COC(C)(C)N1C(=O)O.
What is the InChIKey of (4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is PXLLZMASLPRRAS-NKWVEPMBSA-N. The full InChI is InChI=1S/C9H16FNO3/c1-4-6(10)7-5-14-9(2,3)11(7)8(12)13/h6-7H,4-5H2,1-3H3,(H,12,13)/t6-,7+/m0/s1.
What are the key properties of (4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
(4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 205.23 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 86705178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).