tert-butyl 2-[(2,3-dimethyloxolan-3-yl)amino]propanoate

C13H25NO3 — CID 103581441

IUPACtert-butyl 2-[(2,3-dimethyloxolan-3-yl)amino]propanoate
SMILESCC(NC1(C)CCOC1C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO3/c1-9(11(15)17-12(3,4)5)14-13(6)7-8-16-10(13)2/h9-10,14H,7-8H2,1-6H3
InChIKeySLHJVUXRQIUIDY-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.87
Rot. Bonds3

About tert-butyl 2-[(2,3-dimethyloxolan-3-yl)amino]propanoate

tert-butyl 2-[(2,3-dimethyloxolan-3-yl)amino]propanoate (PubChem CID 103581441) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl 2-[(2,3-dimethyloxolan-3-yl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl 2-[(2,3-dimethyloxolan-3-yl)amino]propanoate
PubChem CID103581441
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nametert-butyl 2-[(2,3-dimethyloxolan-3-yl)amino]propanoate
SMILESCC(NC1(C)CCOC1C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO3/c1-9(11(15)17-12(3,4)5)14-13(6)7-8-16-10(13)2/h9-10,14H,7-8H2,1-6H3
InChIKeySLHJVUXRQIUIDY-UHFFFAOYSA-N
XLogP1.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[[(2,3-dimethyloxolan-3-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 103581186
2-[(2,3-dimethyloxolan-3-yl)amino]-N-(4-methylphenyl)propanamide
CID 103581201
N-tert-butyl-2-[(2,3-dimethyloxolan-3-yl)amino]acetamide
CID 103581389
2,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-amine
CID 103581336
N-(4-methoxybutan-2-yl)-2,3-dimethyloxolan-3-amine
CID 103581330
tert-butyl 2-(carbamothioylamino)propanoate
CID 141124888
tert-butyl (2S)-2-[1-(2,2-dimethylcyclopropyl)ethylamino]propanoate
CID 119036154
[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamic acid
CID 140986118
methyl 4-[[(2R,3R)-2,3-dimethyloxolan-3-yl]amino]butanoate
CID 124681147
tert-butyl (2R)-2-[(5-methyloxolane-2-carbonyl)amino]propanoate
CID 81003461
tert-butyl 2-[(1-ethylcyclopropyl)methylamino]propanoate
CID 103734836
tert-butyl 2-(2-methylpropanoylamino)propanoate
CID 76825480

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2,3-dimethyloxolan-3-yl)amino]propanoate?
The IUPAC name of tert-butyl 2-[(2,3-dimethyloxolan-3-yl)amino]propanoate (CID 103581441) is tert-butyl 2-[(2,3-dimethyloxolan-3-yl)amino]propanoate.
What is the SMILES notation for tert-butyl 2-[(2,3-dimethyloxolan-3-yl)amino]propanoate?
The canonical SMILES for tert-butyl 2-[(2,3-dimethyloxolan-3-yl)amino]propanoate is CC(NC1(C)CCOC1C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[(2,3-dimethyloxolan-3-yl)amino]propanoate?
The InChIKey is SLHJVUXRQIUIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-9(11(15)17-12(3,4)5)14-13(6)7-8-16-10(13)2/h9-10,14H,7-8H2,1-6H3.
What are the key properties of tert-butyl 2-[(2,3-dimethyloxolan-3-yl)amino]propanoate?
tert-butyl 2-[(2,3-dimethyloxolan-3-yl)amino]propanoate has a molecular weight of 243.35 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2,3-dimethyloxolan-3-yl)amino]propanoate is sourced from PubChem (CID 103581441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).