tert-butyl (4S,5R)-4-(aminomethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate

C14H26N2O3 — CID 10802002

IUPACtert-butyl (4S,5R)-4-(aminomethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate
SMILESC=CC[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CN
InChIInChI=1S/C14H26N2O3/c1-7-8-11-10(9-15)16(14(5,6)18-11)12(17)19-13(2,3)4/h7,10-11H,1,8-9,15H2,2-6H3/t10-,11+/m0/s1
InChIKeyBDRXRLPOWSZCND-WDEREUQCSA-N
MW270.37 g/mol
LogP2.26
Rot. Bonds3

About tert-butyl (4S,5R)-4-(aminomethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S,5R)-4-(aminomethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate (PubChem CID 10802002) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl (4S,5R)-4-(aminomethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S,5R)-4-(aminomethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate
PubChem CID10802002
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl (4S,5R)-4-(aminomethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate
SMILESC=CC[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CN
InChIInChI=1S/C14H26N2O3/c1-7-8-11-10(9-15)16(14(5,6)18-11)12(17)19-13(2,3)4/h7,10-11H,1,8-9,15H2,2-6H3/t10-,11+/m0/s1
InChIKeyBDRXRLPOWSZCND-WDEREUQCSA-N
XLogP2.26
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl (4S,5R)-4-(aminomethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate with MolForge

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Related Compounds

5-[1-(4-Pentylpiperazin-1-yl)prop-2-enyl]-1,3-oxazolidin-2-one
CID 67905726
tert-butyl (4S,5S)-2,2,4-trimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate
CID 10491238
tert-butyl (4R,5S)-4-(aminomethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate
CID 10612126
tert-butyl (4R,5R)-2,2,4-trimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate
CID 10967078
tert-butyl (4R,5S)-2,2-dimethyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate
CID 11025072
tert-butyl (4R,5R)-4-ethenyl-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate
CID 11807653
tert-butyl (4R)-2,2-dimethyl-4-[1-(prop-2-enylamino)prop-2-enyl]-1,3-oxazolidine-3-carboxylate
CID 101488680
tert-butyl (4R)-4-[(1S)-1-aminoprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 101491098
tert-butyl (4R)-4-[(1R)-1-aminoprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 101491100
tert-butyl (4R)-2,2-dimethyl-4-[(1S)-1-(prop-2-enylamino)prop-2-enyl]-1,3-oxazolidine-3-carboxylate
CID 101491101
tert-butyl (4R)-2,2-dimethyl-4-[(1R)-1-(prop-2-enylamino)prop-2-enyl]-1,3-oxazolidine-3-carboxylate
CID 101491103
tert-butyl (4R)-2,2-dimethyl-4-[(1R)-1-(prop-2-enylamino)but-3-enyl]-1,3-oxazolidine-3-carboxylate
CID 102325621

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S,5R)-4-(aminomethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S,5R)-4-(aminomethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate (CID 10802002) is tert-butyl (4S,5R)-4-(aminomethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S,5R)-4-(aminomethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S,5R)-4-(aminomethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate is C=CC[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CN.
What is the InChIKey of tert-butyl (4S,5R)-4-(aminomethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is BDRXRLPOWSZCND-WDEREUQCSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-7-8-11-10(9-15)16(14(5,6)18-11)12(17)19-13(2,3)4/h7,10-11H,1,8-9,15H2,2-6H3/t10-,11+/m0/s1.
What are the key properties of tert-butyl (4S,5R)-4-(aminomethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S,5R)-4-(aminomethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S,5R)-4-(aminomethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10802002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).