tert-butyl (2S)-2-[methyl-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]amino]propanoate

C13H21NO5 — CID 171790236

IUPACtert-butyl (2S)-2-[methyl-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]amino]propanoate
SMILESCc1oc(=O)oc1CN(C)[C@@H](C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H21NO5/c1-8(11(15)19-13(3,4)5)14(6)7-10-9(2)17-12(16)18-10/h8H,7H2,1-6H3/t8-/m0/s1
InChIKeyGFLOYBQIQPFYFY-QMMMGPOBSA-N
MW271.31 g/mol
LogP1.70
Rot. Bonds4

About tert-butyl (2S)-2-[methyl-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]amino]propanoate

tert-butyl (2S)-2-[methyl-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]amino]propanoate (PubChem CID 171790236) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is tert-butyl (2S)-2-[methyl-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]amino]propanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[methyl-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]amino]propanoate
PubChem CID171790236
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Nametert-butyl (2S)-2-[methyl-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]amino]propanoate
SMILESCc1oc(=O)oc1CN(C)[C@@H](C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H21NO5/c1-8(11(15)19-13(3,4)5)14(6)7-10-9(2)17-12(16)18-10/h8H,7H2,1-6H3/t8-/m0/s1
InChIKeyGFLOYBQIQPFYFY-QMMMGPOBSA-N
XLogP1.70
TPSA72.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl (2S)-2-[methyl-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]amino]propanoate with MolForge

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Related Compounds

tert-butyl N-[2-[methyl-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]amino]ethyl]carbamate
CID 155596884
tert-butyl 2-[(4-chlorophenyl)methyl-methylamino]propanoate
CID 64689110
methyl-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]carbamic acid
CID 175941189
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2S,3S)-2,3-dimethylpentanoate
CID 174159130
tert-butyl 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
CID 66338330
methyl (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonate
CID 164575426
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-acetyloxy-2-methylpropanoate
CID 162724657
tert-butyl (2R)-5-methyl-5-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylsulfanyl]-2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylsulfanylmethyl]-4-oxohexanoate
CID 159299841
4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one
CID 10510878
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-methyl-2-propanoyloxypropanoate
CID 162724720
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate;1-(2-methylpropanoyloxy)ethyl 2,2-dimethylpropanoate
CID 158254981
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethyl-5-oxohexanoate
CID 162724784

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[methyl-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]amino]propanoate?
The IUPAC name of tert-butyl (2S)-2-[methyl-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]amino]propanoate (CID 171790236) is tert-butyl (2S)-2-[methyl-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]amino]propanoate.
What is the SMILES notation for tert-butyl (2S)-2-[methyl-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]amino]propanoate?
The canonical SMILES for tert-butyl (2S)-2-[methyl-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]amino]propanoate is Cc1oc(=O)oc1CN(C)[C@@H](C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-[methyl-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]amino]propanoate?
The InChIKey is GFLOYBQIQPFYFY-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H21NO5/c1-8(11(15)19-13(3,4)5)14(6)7-10-9(2)17-12(16)18-10/h8H,7H2,1-6H3/t8-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[methyl-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]amino]propanoate?
tert-butyl (2S)-2-[methyl-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]amino]propanoate has a molecular weight of 271.31 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[methyl-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]amino]propanoate is sourced from PubChem (CID 171790236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).