tert-butyl 2-(aminomethyl)-1,3-oxazolidine-3-carboxylate

C9H18N2O3 — CID 141212446

IUPACtert-butyl 2-(aminomethyl)-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC1CN
InChIInChI=1S/C9H18N2O3/c1-9(2,3)14-8(12)11-4-5-13-7(11)6-10/h7H,4-6,10H2,1-3H3
InChIKeyPBIKFTDFGNGZEY-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.54
Rot. Bonds1

About tert-butyl 2-(aminomethyl)-1,3-oxazolidine-3-carboxylate

tert-butyl 2-(aminomethyl)-1,3-oxazolidine-3-carboxylate (PubChem CID 141212446) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is tert-butyl 2-(aminomethyl)-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(aminomethyl)-1,3-oxazolidine-3-carboxylate
PubChem CID141212446
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Nametert-butyl 2-(aminomethyl)-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC1CN
InChIInChI=1S/C9H18N2O3/c1-9(2,3)14-8(12)11-4-5-13-7(11)6-10/h7H,4-6,10H2,1-3H3
InChIKeyPBIKFTDFGNGZEY-UHFFFAOYSA-N
XLogP0.54
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S)-3-(aminomethyl)morpholine-4-carboxylate;hydrochloride
CID 84819306
tert-butyl (2S)-2-(hydroxymethyl)-3-methylmorpholine-4-carboxylate
CID 175950110
tert-butyl 2-(aminomethyl)morpholine-4-carboxylate
CID 19081094
tert-butyl 2-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,3-oxazolidine-3-carboxylate
CID 158790749
tert-butyl 6-amino-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxylate
CID 155977943
5-[3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazinan-2-yl]pentanoic acid
CID 58750922
tert-butyl (2S,3R)-2-(aminomethyl)-3-hydroxypyrrolidine-1-carboxylate
CID 96611141
tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate
CID 2756484
4-O-tert-butyl 3-O-methyl 2-methylmorpholine-3,4-dicarboxylate
CID 155291012
tert-butyl (4aR,7aS)-6-oxo-2,3,4a,5,7,7a-hexahydrocyclopenta[b][1,4]oxazine-4-carboxylate
CID 162341137
tert-butyl (2R)-2-(aminomethyl)-3,3-dimethylpiperidine-1-carboxylate
CID 99794930
(1R,6S,7S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-5-azabicyclo[4.1.0]heptane-7-carboxylic acid
CID 124931795

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(aminomethyl)-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 2-(aminomethyl)-1,3-oxazolidine-3-carboxylate (CID 141212446) is tert-butyl 2-(aminomethyl)-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 2-(aminomethyl)-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 2-(aminomethyl)-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1CCOC1CN.
What is the InChIKey of tert-butyl 2-(aminomethyl)-1,3-oxazolidine-3-carboxylate?
The InChIKey is PBIKFTDFGNGZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-9(2,3)14-8(12)11-4-5-13-7(11)6-10/h7H,4-6,10H2,1-3H3.
What are the key properties of tert-butyl 2-(aminomethyl)-1,3-oxazolidine-3-carboxylate?
tert-butyl 2-(aminomethyl)-1,3-oxazolidine-3-carboxylate has a molecular weight of 202.25 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(aminomethyl)-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 141212446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).