tert-butyl 2-amino-3-methylbutanoate;oxolane

C13H27NO3 — CID 174650975

IUPACtert-butyl 2-amino-3-methylbutanoate;oxolane
SMILESC1CCOC1.CC(C)C(N)C(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO2.C4H8O/c1-6(2)7(10)8(11)12-9(3,4)5;1-2-4-5-3-1/h6-7H,10H2,1-5H3;1-4H2
InChIKeyFGMSCHQZSFWLGG-UHFFFAOYSA-N
MW245.36 g/mol
LogP2.11
Rot. Bonds2

About tert-butyl 2-amino-3-methylbutanoate;oxolane

tert-butyl 2-amino-3-methylbutanoate;oxolane (PubChem CID 174650975) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is tert-butyl 2-amino-3-methylbutanoate;oxolane.

Molecular Properties

Compound Nametert-butyl 2-amino-3-methylbutanoate;oxolane
PubChem CID174650975
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Nametert-butyl 2-amino-3-methylbutanoate;oxolane
SMILESC1CCOC1.CC(C)C(N)C(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO2.C4H8O/c1-6(2)7(10)8(11)12-9(3,4)5;1-2-4-5-3-1/h6-7H,10H2,1-5H3;1-4H2
InChIKeyFGMSCHQZSFWLGG-UHFFFAOYSA-N
XLogP2.11
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-methylbutanoic acid;oxolane
CID 67900314
(2S)-2-amino-3-methylbutanoic acid;oxane
CID 67588156
tert-butyl acetate;oxolane
CID 174954006
tert-butyl 2-(1,4-oxazepan-4-yl)propanoate
CID 64687533
tert-butyl (2R,3S)-2-amino-3-hydroxybutanoate
CID 6941814
tert-butyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate
CID 91539834
tert-butyl (2S)-2-amino-3-methylbutaneperoxoate
CID 175443890
tert-butyl 2-(oxan-4-ylsulfanyl)propanoate
CID 66338662
tert-butyl 2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoate
CID 87406078
tert-butyl cyclopropanecarboxylate;oxane
CID 142447731
tert-butyl (2S)-2-aminopropanoate;dihydrochloride
CID 142726161
tert-butyl (2S)-2-bromopropanoate
CID 12882378

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-3-methylbutanoate;oxolane?
The IUPAC name of tert-butyl 2-amino-3-methylbutanoate;oxolane (CID 174650975) is tert-butyl 2-amino-3-methylbutanoate;oxolane.
What is the SMILES notation for tert-butyl 2-amino-3-methylbutanoate;oxolane?
The canonical SMILES for tert-butyl 2-amino-3-methylbutanoate;oxolane is C1CCOC1.CC(C)C(N)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-amino-3-methylbutanoate;oxolane?
The InChIKey is FGMSCHQZSFWLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.C4H8O/c1-6(2)7(10)8(11)12-9(3,4)5;1-2-4-5-3-1/h6-7H,10H2,1-5H3;1-4H2.
What are the key properties of tert-butyl 2-amino-3-methylbutanoate;oxolane?
tert-butyl 2-amino-3-methylbutanoate;oxolane has a molecular weight of 245.36 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-3-methylbutanoate;oxolane is sourced from PubChem (CID 174650975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).