ethyl 2-[ethyl(methyl)amino]-2-oxoacetate

C7H13NO3 — CID 60895208

IUPACethyl 2-[ethyl(methyl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)N(C)CC
InChIInChI=1S/C7H13NO3/c1-4-8(3)6(9)7(10)11-5-2/h4-5H2,1-3H3
InChIKeySNBSPZDEYTYCNK-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.03
Rot. Bonds2

About ethyl 2-[ethyl(methyl)amino]-2-oxoacetate

ethyl 2-[ethyl(methyl)amino]-2-oxoacetate (PubChem CID 60895208) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is ethyl 2-[ethyl(methyl)amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[ethyl(methyl)amino]-2-oxoacetate
PubChem CID60895208
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Nameethyl 2-[ethyl(methyl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)N(C)CC
InChIInChI=1S/C7H13NO3/c1-4-8(3)6(9)7(10)11-5-2/h4-5H2,1-3H3
InChIKeySNBSPZDEYTYCNK-UHFFFAOYSA-N
XLogP0.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

Ethyl N,N-dimethyloxamate
CID 85553
Ethyl N,N-diethyloxamate
CID 138489
N(2-Acetoxyethyl)-N-ethylacetamide
CID 27397
Methyl (dimethylcarbamoyl)formate
CID 13280608
N-acetyl sarcosine O-methyl ester
CID 21718769
2-(3-Oxomorpholin-4-yl)acetic acid
CID 50990566
Ethyl 2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoacetate
CID 14985599
Ethyl 2-oxo-2-(n,n-dipropylamino)acetate
CID 300609
Ethyl oxo(pyrrolidin-1-yl)acetate
CID 3413436
Ethyl alpha-oxo-4-morpholineacetate
CID 3414011
N,N-Diethyl-2-methoxyacetamide
CID 19165524
Acetoxyacetic acid, morpholide
CID 531940

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl(methyl)amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[ethyl(methyl)amino]-2-oxoacetate (CID 60895208) is ethyl 2-[ethyl(methyl)amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[ethyl(methyl)amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[ethyl(methyl)amino]-2-oxoacetate is CCOC(=O)C(=O)N(C)CC.
What is the InChIKey of ethyl 2-[ethyl(methyl)amino]-2-oxoacetate?
The InChIKey is SNBSPZDEYTYCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-4-8(3)6(9)7(10)11-5-2/h4-5H2,1-3H3.
What are the key properties of ethyl 2-[ethyl(methyl)amino]-2-oxoacetate?
ethyl 2-[ethyl(methyl)amino]-2-oxoacetate has a molecular weight of 159.18 g/mol, XLogP of 0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl(methyl)amino]-2-oxoacetate is sourced from PubChem (CID 60895208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).