ethyl 2-[[2-(2,2-dimethylpropanoylamino)acetyl]-propan-2-ylamino]acetate

C14H26N2O4 — CID 61022550

IUPACethyl 2-[[2-(2,2-dimethylpropanoylamino)acetyl]-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)CNC(=O)C(C)(C)C)C(C)C
InChIInChI=1S/C14H26N2O4/c1-7-20-12(18)9-16(10(2)3)11(17)8-15-13(19)14(4,5)6/h10H,7-9H2,1-6H3,(H,15,19)
InChIKeyZBCXINKAVATODK-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.95
Rot. Bonds6

About ethyl 2-[[2-(2,2-dimethylpropanoylamino)acetyl]-propan-2-ylamino]acetate

ethyl 2-[[2-(2,2-dimethylpropanoylamino)acetyl]-propan-2-ylamino]acetate (PubChem CID 61022550) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is ethyl 2-[[2-(2,2-dimethylpropanoylamino)acetyl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(2,2-dimethylpropanoylamino)acetyl]-propan-2-ylamino]acetate
PubChem CID61022550
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nameethyl 2-[[2-(2,2-dimethylpropanoylamino)acetyl]-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)CNC(=O)C(C)(C)C)C(C)C
InChIInChI=1S/C14H26N2O4/c1-7-20-12(18)9-16(10(2)3)11(17)8-15-13(19)14(4,5)6/h10H,7-9H2,1-6H3,(H,15,19)
InChIKeyZBCXINKAVATODK-UHFFFAOYSA-N
XLogP0.95
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2-fluoroacetyl)-propan-2-ylamino]acetate
CID 170383647
ethyl 2-[[2-(cyclopentylamino)acetyl]-propan-2-ylamino]acetate
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CID 55005606
2-[2-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-oxoethoxy]acetic acid
CID 61327891
ethane;ethyl 2-[(2-cyanoacetyl)-propan-2-ylamino]acetate
CID 170570680
ethyl 2-[6-acetamidohexanoyl(propan-2-yl)amino]acetate
CID 61022176
ethyl 2-[(3-amino-2-methylpropanoyl)-propan-2-ylamino]acetate
CID 62670368
3-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-methyl-3-oxopropanoic acid
CID 114897747
ethyl 2-[(3-amino-2-methylbutanoyl)-propan-2-ylamino]acetate
CID 113416241
ethyl 2-[(3-amino-2-methoxypropanoyl)-propan-2-ylamino]acetate
CID 106112261
ethyl 2-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]acetate
CID 54916791
N-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 60667715

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2,2-dimethylpropanoylamino)acetyl]-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[[2-(2,2-dimethylpropanoylamino)acetyl]-propan-2-ylamino]acetate (CID 61022550) is ethyl 2-[[2-(2,2-dimethylpropanoylamino)acetyl]-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-(2,2-dimethylpropanoylamino)acetyl]-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[[2-(2,2-dimethylpropanoylamino)acetyl]-propan-2-ylamino]acetate is CCOC(=O)CN(C(=O)CNC(=O)C(C)(C)C)C(C)C.
What is the InChIKey of ethyl 2-[[2-(2,2-dimethylpropanoylamino)acetyl]-propan-2-ylamino]acetate?
The InChIKey is ZBCXINKAVATODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-7-20-12(18)9-16(10(2)3)11(17)8-15-13(19)14(4,5)6/h10H,7-9H2,1-6H3,(H,15,19).
What are the key properties of ethyl 2-[[2-(2,2-dimethylpropanoylamino)acetyl]-propan-2-ylamino]acetate?
ethyl 2-[[2-(2,2-dimethylpropanoylamino)acetyl]-propan-2-ylamino]acetate has a molecular weight of 286.37 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2,2-dimethylpropanoylamino)acetyl]-propan-2-ylamino]acetate is sourced from PubChem (CID 61022550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).