methyl 2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetate

C9H18N2O3 — CID 28567020

IUPACmethyl 2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetate
SMILESCOC(=O)CNCC(=O)NC(C)(C)C
InChIInChI=1S/C9H18N2O3/c1-9(2,3)11-7(12)5-10-6-8(13)14-4/h10H,5-6H2,1-4H3,(H,11,12)
InChIKeyWNGZMTGOTQLBIC-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.34
Rot. Bonds4

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

methyl 2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetate (PubChem CID 28567020) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl 2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetate
PubChem CID28567020
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Namemethyl 2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetate
SMILESCOC(=O)CNCC(=O)NC(C)(C)C
InChIInChI=1S/C9H18N2O3/c1-9(2,3)11-7(12)5-10-6-8(13)14-4/h10H,5-6H2,1-4H3,(H,11,12)
InChIKeyWNGZMTGOTQLBIC-UHFFFAOYSA-N
XLogP-0.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 15403805
Tert-butyl 2-[2-(2-aminoacetamido)acetamido]acetate
CID 22418648
Methyl 2-(2-Aminoacetamido)Acetate
CID 3248350
N-Acetyl-ala-ala-ala-methylester
CID 5462473
Methyl 2-{2-[2-(acetylamino)propanoylamino]propanoylamino}propanoate
CID 100120
Tert-butyl 2-[(carbamoylmethyl)amino]acetate
CID 60681794
Methyl 2-methyl-2-(piperazin-1-yl)propanoate
CID 61001258
N-(N-L-Alanyl-L-alanyl)-O-methyl-L-alanine monoacetate
CID 541978
methyl N-(tert-butoxycarbonyl)glycylglycinate
CID 637608
l-Alanyl-l-alanyl-l-alanine methyl ester
CID 6097192
Ethyl (2S)-2-[(2S)-2-aminopropanamido]propanoate
CID 14331237
L-Alanine, N-glycyl-, 1,1-dimethylethyl ester
CID 91979511

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetate?
The IUPAC name of methyl 2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetate (CID 28567020) is methyl 2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetate is COC(=O)CNCC(=O)NC(C)(C)C.
What is the InChIKey of methyl 2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetate?
The InChIKey is WNGZMTGOTQLBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-9(2,3)11-7(12)5-10-6-8(13)14-4/h10H,5-6H2,1-4H3,(H,11,12).
What are the key properties of methyl 2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetate?
methyl 2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetate has a molecular weight of 202.25 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetate is sourced from PubChem (CID 28567020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).