tert-butyl 2-[(1-methoxy-2-methylpropan-2-yl)amino]propanoate

C12H25NO3 — CID 115642073

IUPACtert-butyl 2-[(1-methoxy-2-methylpropan-2-yl)amino]propanoate
SMILESCOCC(C)(C)NC(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO3/c1-9(10(14)16-11(2,3)4)13-12(5,6)8-15-7/h9,13H,8H2,1-7H3
InChIKeyNQPDWYAYQRGZCI-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.73
Rot. Bonds5

About tert-butyl 2-[(1-methoxy-2-methylpropan-2-yl)amino]propanoate

tert-butyl 2-[(1-methoxy-2-methylpropan-2-yl)amino]propanoate (PubChem CID 115642073) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is tert-butyl 2-[(1-methoxy-2-methylpropan-2-yl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl 2-[(1-methoxy-2-methylpropan-2-yl)amino]propanoate
PubChem CID115642073
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Nametert-butyl 2-[(1-methoxy-2-methylpropan-2-yl)amino]propanoate
SMILESCOCC(C)(C)NC(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO3/c1-9(10(14)16-11(2,3)4)13-12(5,6)8-15-7/h9,13H,8H2,1-7H3
InChIKeyNQPDWYAYQRGZCI-UHFFFAOYSA-N
XLogP1.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]propanoate
CID 66337596
tert-butyl 2-(methoxyamino)propanoate
CID 64688772
tert-butyl 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]propanoate
CID 107865292
methyl 2-cyclopropyl-2-[(1-methoxy-2-methylpropan-2-yl)amino]acetate
CID 103264509
tert-butyl 2-(2-methylpropylamino)propanoate
CID 64688335
[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamic acid
CID 140986118
tert-butyl (2R)-2-(4-methoxybutanoylamino)propanoate
CID 81003909
tert-butyl 2-(2,2,3-trimethylbutylamino)propanoate
CID 102670947
tert-butyl 2-[(2-hydroxy-2-methylpropyl)amino]propanoate
CID 66337597
tert-butyl 2-(2-aminoethylamino)propanoate
CID 66338502
3-O-tert-butyl 1-O-methyl (2S)-2-methylpropanedioate
CID 91757639
tert-butyl (2R)-2-(2,2-dimethylpropanoylamino)propanoate
CID 81004146

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(1-methoxy-2-methylpropan-2-yl)amino]propanoate?
The IUPAC name of tert-butyl 2-[(1-methoxy-2-methylpropan-2-yl)amino]propanoate (CID 115642073) is tert-butyl 2-[(1-methoxy-2-methylpropan-2-yl)amino]propanoate.
What is the SMILES notation for tert-butyl 2-[(1-methoxy-2-methylpropan-2-yl)amino]propanoate?
The canonical SMILES for tert-butyl 2-[(1-methoxy-2-methylpropan-2-yl)amino]propanoate is COCC(C)(C)NC(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[(1-methoxy-2-methylpropan-2-yl)amino]propanoate?
The InChIKey is NQPDWYAYQRGZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-9(10(14)16-11(2,3)4)13-12(5,6)8-15-7/h9,13H,8H2,1-7H3.
What are the key properties of tert-butyl 2-[(1-methoxy-2-methylpropan-2-yl)amino]propanoate?
tert-butyl 2-[(1-methoxy-2-methylpropan-2-yl)amino]propanoate has a molecular weight of 231.34 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(1-methoxy-2-methylpropan-2-yl)amino]propanoate is sourced from PubChem (CID 115642073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).