benzyl 2-[(4S)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-fluorocyclopropane-1-carboxylate

C20H24FNO5 — CID 135063460

IUPACbenzyl 2-[(4S)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-fluorocyclopropane-1-carboxylate
SMILESCC(C)[C@@H]1N(C(=O)C2(F)CC2C(=O)OCc2ccccc2)C(=O)OC1(C)C
InChIInChI=1S/C20H24FNO5/c1-12(2)15-19(3,4)27-18(25)22(15)17(24)20(21)10-14(20)16(23)26-11-13-8-6-5-7-9-13/h5-9,12,14-15H,10-11H2,1-4H3/t14?,15-,20?/m0/s1
InChIKeySVAPHGDZVGXVDY-CHWWFWEZSA-N
MW377.41 g/mol
LogP3.24
Rot. Bonds5

About benzyl 2-[(4S)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-fluorocyclopropane-1-carboxylate

benzyl 2-[(4S)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-fluorocyclopropane-1-carboxylate (PubChem CID 135063460) has the molecular formula C20H24FNO5 and a molecular weight of 377.41 g/mol. Its IUPAC name is benzyl 2-[(4S)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-fluorocyclopropane-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[(4S)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-fluorocyclopropane-1-carboxylate
PubChem CID135063460
Molecular FormulaC20H24FNO5
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Namebenzyl 2-[(4S)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-fluorocyclopropane-1-carboxylate
SMILESCC(C)[C@@H]1N(C(=O)C2(F)CC2C(=O)OCc2ccccc2)C(=O)OC1(C)C
InChIInChI=1S/C20H24FNO5/c1-12(2)15-19(3,4)27-18(25)22(15)17(24)20(21)10-14(20)16(23)26-11-13-8-6-5-7-9-13/h5-9,12,14-15H,10-11H2,1-4H3/t14?,15-,20?/m0/s1
InChIKeySVAPHGDZVGXVDY-CHWWFWEZSA-N
XLogP3.24
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze benzyl 2-[(4S)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-fluorocyclopropane-1-carboxylate with MolForge

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Related Compounds

2-Benzyl 1-tert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate
CID 8027482
(S)-1-Benzyl 2-methyl pyrrolidine-1,2-dicarboxylate
CID 688168
Z-O-tert-butyl-L-trans-4-hydroxyproline
CID 2802356
Boc-Hyp(Bzl)-OH
CID 11860409
Cbz-Pro-Leu-Glu(OtBu)-Val-Oallyl
CID 162648922
Cbz-Pro-Leu-Glu(OtBu)-Val-OMe
CID 162652098
(R)-2-benzyl 1-tert-butyl 5-oxopyrrolidine-1,2-dicarboxylate
CID 820870
Z-Pyr-OtBu
CID 10615573
2-Benzyl 1-tert-butyl 5-oxopyrrolidine-1,2-dicarboxylate
CID 13893414
6-benzyl 5-tert-butyl (6S)-5-azaspiro(2.4)heptane-5,6-dicarboxylate
CID 25324051
(r)-1-Benzyl 2-tert-butyl 4-oxopyrrolidine-1,2-dicarboxylate
CID 124632369
tert-butyl (3R,5S)-3-fluoro-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate
CID 11005272

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(4S)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-fluorocyclopropane-1-carboxylate?
The IUPAC name of benzyl 2-[(4S)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-fluorocyclopropane-1-carboxylate (CID 135063460) is benzyl 2-[(4S)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-fluorocyclopropane-1-carboxylate.
What is the SMILES notation for benzyl 2-[(4S)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-fluorocyclopropane-1-carboxylate?
The canonical SMILES for benzyl 2-[(4S)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-fluorocyclopropane-1-carboxylate is CC(C)[C@@H]1N(C(=O)C2(F)CC2C(=O)OCc2ccccc2)C(=O)OC1(C)C.
What is the InChIKey of benzyl 2-[(4S)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-fluorocyclopropane-1-carboxylate?
The InChIKey is SVAPHGDZVGXVDY-CHWWFWEZSA-N. The full InChI is InChI=1S/C20H24FNO5/c1-12(2)15-19(3,4)27-18(25)22(15)17(24)20(21)10-14(20)16(23)26-11-13-8-6-5-7-9-13/h5-9,12,14-15H,10-11H2,1-4H3/t14?,15-,20?/m0/s1.
What are the key properties of benzyl 2-[(4S)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-fluorocyclopropane-1-carboxylate?
benzyl 2-[(4S)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-fluorocyclopropane-1-carboxylate has a molecular weight of 377.41 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(4S)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-fluorocyclopropane-1-carboxylate is sourced from PubChem (CID 135063460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).