ethyl 2-[3-(dimethylamino)propanoylamino]acetate

C9H18N2O3 — CID 137320698

IUPACethyl 2-[3-(dimethylamino)propanoylamino]acetate
SMILESCCOC(=O)CNC(=O)CCN(C)C
InChIInChI=1S/C9H18N2O3/c1-4-14-9(13)7-10-8(12)5-6-11(2)3/h4-7H2,1-3H3,(H,10,12)
InChIKeyUSNCGAMYQIVNOV-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.38
Rot. Bonds6

About ethyl 2-[3-(dimethylamino)propanoylamino]acetate

ethyl 2-[3-(dimethylamino)propanoylamino]acetate (PubChem CID 137320698) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl 2-[3-(dimethylamino)propanoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(dimethylamino)propanoylamino]acetate
PubChem CID137320698
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Nameethyl 2-[3-(dimethylamino)propanoylamino]acetate
SMILESCCOC(=O)CNC(=O)CCN(C)C
InChIInChI=1S/C9H18N2O3/c1-4-14-9(13)7-10-8(12)5-6-11(2)3/h4-7H2,1-3H3,(H,10,12)
InChIKeyUSNCGAMYQIVNOV-UHFFFAOYSA-N
XLogP-0.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

Ethyl 2-propanamidoacetate
CID 3320103
Ethyl 2-(2-methylpropanamido)acetate
CID 4674605
Methyl 2-(3-acetamidopropanamido)acetate
CID 43404724
ethyl 2-[3-(dimethylamino)-N-methylpropanamido]acetate hydrochloride
CID 155820219
methyl 2-[N-methyl-4-(methylamino)butanamido]acetate hydrochloride
CID 155822137
ethyl 2-[N-methyl-3-(methylamino)propanamido]acetate hydrochloride
CID 155858457
Ethyl 2-(3-(dimethylamino)propanamido)acetate hydrochloride
CID 155858467
methyl 2-(3-amino-N-methylpropanamido)acetate hydrochloride
CID 155943272
Methyl 2-(3-(dimethylamino)propanamido)acetate
CID 165888091
Ethyl 2-(1-acetylazetidine-3-carboxamido)acetate
CID 71785161
Ethyl (2S)-2-[(2S)-2-aminopropanamido]propanoate
CID 14331237
Ethyl 2-(2-methylpropanoylamino)propanoate
CID 22954023

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(dimethylamino)propanoylamino]acetate?
The IUPAC name of ethyl 2-[3-(dimethylamino)propanoylamino]acetate (CID 137320698) is ethyl 2-[3-(dimethylamino)propanoylamino]acetate.
What is the SMILES notation for ethyl 2-[3-(dimethylamino)propanoylamino]acetate?
The canonical SMILES for ethyl 2-[3-(dimethylamino)propanoylamino]acetate is CCOC(=O)CNC(=O)CCN(C)C.
What is the InChIKey of ethyl 2-[3-(dimethylamino)propanoylamino]acetate?
The InChIKey is USNCGAMYQIVNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-4-14-9(13)7-10-8(12)5-6-11(2)3/h4-7H2,1-3H3,(H,10,12).
What are the key properties of ethyl 2-[3-(dimethylamino)propanoylamino]acetate?
ethyl 2-[3-(dimethylamino)propanoylamino]acetate has a molecular weight of 202.25 g/mol, XLogP of -0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(dimethylamino)propanoylamino]acetate is sourced from PubChem (CID 137320698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).