tert-butyl 2-[2-aminopropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate

C15H30N2O4 — CID 23510744

IUPACtert-butyl 2-[2-aminopropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
SMILESCC(N)CN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O4/c1-11(16)8-17(9-12(18)20-14(2,3)4)10-13(19)21-15(5,6)7/h11H,8-10,16H2,1-7H3
InChIKeyFPBMYAYQNDBWTH-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.32
Rot. Bonds6

About tert-butyl 2-[2-aminopropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate

tert-butyl 2-[2-aminopropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate (PubChem CID 23510744) has the molecular formula C15H30N2O4 and a molecular weight of 302.42 g/mol. Its IUPAC name is tert-butyl 2-[2-aminopropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-aminopropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
PubChem CID23510744
Molecular FormulaC15H30N2O4
Molecular Weight302.42 g/mol
Exact Mass302.22
IUPAC Nametert-butyl 2-[2-aminopropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
SMILESCC(N)CN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O4/c1-11(16)8-17(9-12(18)20-14(2,3)4)10-13(19)21-15(5,6)7/h11H,8-10,16H2,1-7H3
InChIKeyFPBMYAYQNDBWTH-UHFFFAOYSA-N
XLogP1.32
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl (4R)-4-aminopentanoate
CID 58781983
tert-butyl 2-[amino(methyl)amino]acetate
CID 11805056
tert-butyl 2-[(4-hydroxy-2-methylbutyl)-methylamino]acetate
CID 87920779
(2R)-2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoic acid
CID 10495701
tert-butyl 3,3-diaminopropanoate
CID 57031897
tert-butyl 2-[carbamoyl(methyl)amino]acetate
CID 90191357
tert-butyl 2-[2,2-dimethylpropyl(propyl)amino]acetate
CID 159831109
tert-butyl 3-[bis(2-methylpropyl)amino]propanoate
CID 113226672
tert-butyl 2-aminoacetate;ethane
CID 143116857
tert-butyl 2-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-hydroxypropanoate
CID 73029640
(2R)-2-amino-6-[2,3-bis[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoylamino]hexanoic acid
CID 10699801
tert-butyl 4-methylpentanoate
CID 14724205

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-aminopropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate?
The IUPAC name of tert-butyl 2-[2-aminopropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate (CID 23510744) is tert-butyl 2-[2-aminopropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[2-aminopropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate?
The canonical SMILES for tert-butyl 2-[2-aminopropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate is CC(N)CN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-aminopropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate?
The InChIKey is FPBMYAYQNDBWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O4/c1-11(16)8-17(9-12(18)20-14(2,3)4)10-13(19)21-15(5,6)7/h11H,8-10,16H2,1-7H3.
What are the key properties of tert-butyl 2-[2-aminopropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate?
tert-butyl 2-[2-aminopropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate has a molecular weight of 302.42 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-aminopropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate is sourced from PubChem (CID 23510744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).