ethyl 2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetate

C10H20N2O3 — CID 60811242

IUPACethyl 2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetate
SMILESCCOC(=O)CNCC(=O)NC(C)CC
InChIInChI=1S/C10H20N2O3/c1-4-8(3)12-9(13)6-11-7-10(14)15-5-2/h8,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyBHKBXESTEWIUSM-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.05
Rot. Bonds7

About ethyl 2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetate

ethyl 2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetate (PubChem CID 60811242) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethyl 2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetate
PubChem CID60811242
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nameethyl 2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetate
SMILESCCOC(=O)CNCC(=O)NC(C)CC
InChIInChI=1S/C10H20N2O3/c1-4-8(3)12-9(13)6-11-7-10(14)15-5-2/h8,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyBHKBXESTEWIUSM-UHFFFAOYSA-N
XLogP0.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.05
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
ethyl 2-[[2-(butan-2-ylamino)-2-oxoethyl]-methylamino]acetate
CID 55207313
N-butan-2-yl-2-(2,2-dimethylbutylamino)acetamide
CID 103461294
N-butan-2-yl-2-(3-methylpentan-2-ylamino)acetamide
CID 61463687
N-butan-2-yl-2-[2-(dimethylamino)ethylamino]acetamide
CID 43180189
N-butan-2-yl-2-(octylamino)acetamide
CID 78914360
ethyl 2-(2,2,3-trimethylbutylamino)acetate
CID 107095555
N-butan-2-yl-2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]acetamide
CID 43179646
N-butan-2-yl-2-[(4-methylpiperazin-1-yl)amino]acetamide
CID 83022308
N-butan-2-yl-2-(3-methylsulfanylpropylamino)acetamide
CID 63964905
N-benzyl-2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetamide
CID 60971680
ethyl 2-[bis(2-methylpropyl)phosphinothioylmethylamino]acetate
CID 57247651

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetate (CID 60811242) is ethyl 2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetate is CCOC(=O)CNCC(=O)NC(C)CC.
What is the InChIKey of ethyl 2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetate?
The InChIKey is BHKBXESTEWIUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-4-8(3)12-9(13)6-11-7-10(14)15-5-2/h8,11H,4-7H2,1-3H3,(H,12,13).
What are the key properties of ethyl 2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetate?
ethyl 2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetate has a molecular weight of 216.28 g/mol, XLogP of 0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetate is sourced from PubChem (CID 60811242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).