propan-2-yl 2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetate

C11H22N2O3 — CID 115356445

IUPACpropan-2-yl 2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetate
SMILESCC(C)OC(=O)CNCC(=O)NC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-8(2)16-10(15)7-12-6-9(14)13-11(3,4)5/h8,12H,6-7H2,1-5H3,(H,13,14)
InChIKeyUOLNYECKFJTYFU-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.44
Rot. Bonds5

About propan-2-yl 2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetate

propan-2-yl 2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetate (PubChem CID 115356445) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is propan-2-yl 2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetate
PubChem CID115356445
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namepropan-2-yl 2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetate
SMILESCC(C)OC(=O)CNCC(=O)NC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-8(2)16-10(15)7-12-6-9(14)13-11(3,4)5/h8,12H,6-7H2,1-5H3,(H,13,14)
InChIKeyUOLNYECKFJTYFU-UHFFFAOYSA-N
XLogP0.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetamide
CID 113219551
propan-2-yl 2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetate
CID 106146656
ethyl 3-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-methylpropanoate
CID 115356417
propan-2-yl 2-[[(2S)-2-sulfanylpropanoyl]amino]acetate
CID 124677164
propan-2-yl 2-(2-sulfanylpropanoylamino)acetate
CID 86138159
2-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]prop-2-enoic acid
CID 103260235
[(2-oxo-2-propan-2-yloxyethyl)amino]methylphosphonic acid
CID 13338650
propan-2-yl 2-(fluoroamino)acetate
CID 89108971
N-tert-butyl-2-[3-(2-methylpropoxy)propylamino]acetamide
CID 113219120
N-tert-butyl-2-(3,3-dimethylbutan-2-ylamino)acetamide
CID 115627468
2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-tert-butylacetamide
CID 107442563
N-tert-butyl-2-(2-hydroxybutylamino)acetamide
CID 115356599

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetate?
The IUPAC name of propan-2-yl 2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetate (CID 115356445) is propan-2-yl 2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetate.
What is the SMILES notation for propan-2-yl 2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetate?
The canonical SMILES for propan-2-yl 2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetate is CC(C)OC(=O)CNCC(=O)NC(C)(C)C.
What is the InChIKey of propan-2-yl 2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetate?
The InChIKey is UOLNYECKFJTYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8(2)16-10(15)7-12-6-9(14)13-11(3,4)5/h8,12H,6-7H2,1-5H3,(H,13,14).
What are the key properties of propan-2-yl 2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetate?
propan-2-yl 2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetate has a molecular weight of 230.31 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetate is sourced from PubChem (CID 115356445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).