ethyl 2-[1-(dimethylamino)propan-2-ylamino]acetate

C9H20N2O2 — CID 82938567

IUPACethyl 2-[1-(dimethylamino)propan-2-ylamino]acetate
SMILESCCOC(=O)CNC(C)CN(C)C
InChIInChI=1S/C9H20N2O2/c1-5-13-9(12)6-10-8(2)7-11(3)4/h8,10H,5-7H2,1-4H3
InChIKeyWFNVPFRNYMIVRM-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.09
Rot. Bonds6

About ethyl 2-[1-(dimethylamino)propan-2-ylamino]acetate

ethyl 2-[1-(dimethylamino)propan-2-ylamino]acetate (PubChem CID 82938567) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is ethyl 2-[1-(dimethylamino)propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(dimethylamino)propan-2-ylamino]acetate
PubChem CID82938567
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Nameethyl 2-[1-(dimethylamino)propan-2-ylamino]acetate
SMILESCCOC(=O)CNC(C)CN(C)C
InChIInChI=1S/C9H20N2O2/c1-5-13-9(12)6-10-8(2)7-11(3)4/h8,10H,5-7H2,1-4H3
InChIKeyWFNVPFRNYMIVRM-UHFFFAOYSA-N
XLogP0.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetate
CID 11806511
ethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]acetate
CID 60811101
ethyl 2-[2-[1-(dimethylamino)propan-2-ylamino]ethoxy]acetate
CID 103260824
2-[1-(dimethylamino)propan-2-ylamino]acetic acid
CID 82937754
ethyl 2-(1-chloroethylamino)acetate
CID 123739956
ethyl 2-(6-hydroxyhexan-2-ylamino)acetate
CID 22677733
N-cyclopropyl-2-[1-(dimethylamino)propan-2-ylamino]-N-ethylacetamide
CID 82938894
2-[1-(dimethylamino)propan-2-ylamino]-1-piperidin-1-ylethanone
CID 82938717
ethyl 2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate
CID 60811365
2-[1-(dimethylamino)propan-2-ylamino]-N-(2-methylbutan-2-yl)acetamide
CID 82938261
ethyl 2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]acetate
CID 167724083
3-methylbutyl 2-(butan-2-ylamino)acetate
CID 61278693

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(dimethylamino)propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[1-(dimethylamino)propan-2-ylamino]acetate (CID 82938567) is ethyl 2-[1-(dimethylamino)propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[1-(dimethylamino)propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[1-(dimethylamino)propan-2-ylamino]acetate is CCOC(=O)CNC(C)CN(C)C.
What is the InChIKey of ethyl 2-[1-(dimethylamino)propan-2-ylamino]acetate?
The InChIKey is WFNVPFRNYMIVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-5-13-9(12)6-10-8(2)7-11(3)4/h8,10H,5-7H2,1-4H3.
What are the key properties of ethyl 2-[1-(dimethylamino)propan-2-ylamino]acetate?
ethyl 2-[1-(dimethylamino)propan-2-ylamino]acetate has a molecular weight of 188.27 g/mol, XLogP of 0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(dimethylamino)propan-2-ylamino]acetate is sourced from PubChem (CID 82938567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).