tert-butyl (4S)-4-(5-amino-3-fluoropent-2-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C15H27FN2O3 — CID 91432884

IUPACtert-butyl (4S)-4-(5-amino-3-fluoropent-2-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H](CC=C(F)CCN)COC1(C)C
InChIInChI=1S/C15H27FN2O3/c1-14(2,3)21-13(19)18-12(10-20-15(18,4)5)7-6-11(16)8-9-17/h6,12H,7-10,17H2,1-5H3/t12-/m0/s1
InChIKeyDCQPYCHLPPTWIY-LBPRGKRZSA-N
MW302.39 g/mol
LogP2.95
Rot. Bonds4

About tert-butyl (4S)-4-(5-amino-3-fluoropent-2-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-4-(5-amino-3-fluoropent-2-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 91432884) has the molecular formula C15H27FN2O3 and a molecular weight of 302.39 g/mol. Its IUPAC name is tert-butyl (4S)-4-(5-amino-3-fluoropent-2-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-(5-amino-3-fluoropent-2-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID91432884
Molecular FormulaC15H27FN2O3
Molecular Weight302.39 g/mol
Exact Mass302.20
IUPAC Nametert-butyl (4S)-4-(5-amino-3-fluoropent-2-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H](CC=C(F)CCN)COC1(C)C
InChIInChI=1S/C15H27FN2O3/c1-14(2,3)21-13(19)18-12(10-20-15(18,4)5)7-6-11(16)8-9-17/h6,12H,7-10,17H2,1-5H3/t12-/m0/s1
InChIKeyDCQPYCHLPPTWIY-LBPRGKRZSA-N
XLogP2.95
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (4S)-4-(5-amino-3-fluoropent-2-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate 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

tert-Butyl-(4S)-4-(1-fluoroprop-2-en-1-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 57801768
tert-butyl (4S)-4-[(Z)-5-amino-3-fluoropent-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 59883032
tert-butyl (4S)-4-[(Z)-3-fluoro-4-isocyanobut-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 59883042
(E)-3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-en-1-amine
CID 59883049
tert-butyl (4S)-4-[(Z)-5-(1-aminoethylideneamino)-3-fluoropent-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 59883064
tert-butyl (4S)-4-[(Z)-4-ethylperoxy-3-fluorobut-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 59883069
(Z)-3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-en-1-amine
CID 59883071
3-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-3-en-1-amine
CID 90832967
tert-butyl (4S)-4-(4-ethylperoxy-3-fluorobut-2-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 90845464
tert-butyl (4S)-4-(3-fluoro-4-isocyanobut-2-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 91006240
tert-butyl (4S)-4-[5-(1-aminoethylideneamino)-3-fluoropent-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 91210723
tert-butyl (4S)-4-[(E)-5-(1-aminoethylideneamino)-3-fluoropent-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 145841526

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-(5-amino-3-fluoropent-2-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-(5-amino-3-fluoropent-2-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 91432884) is tert-butyl (4S)-4-(5-amino-3-fluoropent-2-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-(5-amino-3-fluoropent-2-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-(5-amino-3-fluoropent-2-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@@H](CC=C(F)CCN)COC1(C)C.
What is the InChIKey of tert-butyl (4S)-4-(5-amino-3-fluoropent-2-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is DCQPYCHLPPTWIY-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H27FN2O3/c1-14(2,3)21-13(19)18-12(10-20-15(18,4)5)7-6-11(16)8-9-17/h6,12H,7-10,17H2,1-5H3/t12-/m0/s1.
What are the key properties of tert-butyl (4S)-4-(5-amino-3-fluoropent-2-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-(5-amino-3-fluoropent-2-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 302.39 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-(5-amino-3-fluoropent-2-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 91432884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).