ethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]acetate

C9H18N2O3 — CID 60811101

IUPACethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]acetate
SMILESCCOC(=O)CNC(C)C(=O)N(C)C
InChIInChI=1S/C9H18N2O3/c1-5-14-8(12)6-10-7(2)9(13)11(3)4/h7,10H,5-6H2,1-4H3
InChIKeyRHYOFFYPVGEQPS-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.38
Rot. Bonds5

About ethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]acetate

ethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]acetate (PubChem CID 60811101) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]acetate
PubChem CID60811101
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Nameethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]acetate
SMILESCCOC(=O)CNC(C)C(=O)N(C)C
InChIInChI=1S/C9H18N2O3/c1-5-14-8(12)6-10-7(2)9(13)11(3)4/h7,10H,5-6H2,1-4H3
InChIKeyRHYOFFYPVGEQPS-UHFFFAOYSA-N
XLogP-0.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate
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N,N-dimethyl-2-(propylamino)propanamide
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2-[[2-(dimethylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide
CID 103108801
2-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]prop-2-enoic acid
CID 103247604
ethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate
CID 60811246
ethyl 2-(6-hydroxyhexan-2-ylamino)acetate
CID 22677733
2-(3-ethoxypropylamino)-N,N-dimethylpropanamide
CID 43086240
ethyl 2-[[methyl(propan-2-yl)carbamoyl]amino]acetate
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CID 54921228

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]acetate?
The IUPAC name of ethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]acetate (CID 60811101) is ethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]acetate is CCOC(=O)CNC(C)C(=O)N(C)C.
What is the InChIKey of ethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]acetate?
The InChIKey is RHYOFFYPVGEQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-5-14-8(12)6-10-7(2)9(13)11(3)4/h7,10H,5-6H2,1-4H3.
What are the key properties of ethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]acetate?
ethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]acetate has a molecular weight of 202.25 g/mol, XLogP of -0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]acetate is sourced from PubChem (CID 60811101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).