ethyl 2-aminoacetate

C4H9NO2 — CID 45039361

IUPACethyl 2-aminoacetate
SMILESCCOC(=O)[13CH2]N
InChIInChI=1S/C4H9NO2/c1-2-7-4(6)3-5/h2-3,5H2,1H3/i3+1
InChIKeyNTNZTEQNFHNYBC-LBPDFUHNSA-N
MW104.11 g/mol
LogP-0.49
Rot. Bonds2

About ethyl 2-aminoacetate

ethyl 2-aminoacetate (PubChem CID 45039361) has the molecular formula C4H9NO2 and a molecular weight of 104.11 g/mol. Its IUPAC name is ethyl 2-aminoacetate.

Molecular Properties

Compound Nameethyl 2-aminoacetate
PubChem CID45039361
Molecular FormulaC4H9NO2
Molecular Weight104.11 g/mol
Exact Mass104.07
IUPAC Nameethyl 2-aminoacetate
SMILESCCOC(=O)[13CH2]N
InChIInChI=1S/C4H9NO2/c1-2-7-4(6)3-5/h2-3,5H2,1H3/i3+1
InChIKeyNTNZTEQNFHNYBC-LBPDFUHNSA-N
XLogP-0.49
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.11
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-aminoacetate;zirconium
CID 174594488
CID 172816698
CID 172816698
ethanol;ethyl 2-aminoacetate
CID 174720999
potassium;ethyl 2-aminoacetate;hydride;hydrochloride
CID 174827290
acetic acid;ethyl 2-aminoacetate;hydrochloride
CID 172784195
dichlorocopper;ethyl 2-aminoacetate
CID 54602693
ethyl 2-aminoacetate;ethyl 2-(dimethylaminomethylideneamino)acetate
CID 159184038
ethyl propanoate;methane
CID 161360642
alumane;ethyl propanoate
CID 174257559
diethyl propanedioate;titanium
CID 174779178
diethyl propanedioate;ethane
CID 123991095
bis(ethyl 3-oxobutanoate);methane
CID 161351489

Frequently Asked Questions

What is the IUPAC name of ethyl 2-aminoacetate?
The IUPAC name of ethyl 2-aminoacetate (CID 45039361) is ethyl 2-aminoacetate.
What is the SMILES notation for ethyl 2-aminoacetate?
The canonical SMILES for ethyl 2-aminoacetate is CCOC(=O)[13CH2]N.
What is the InChIKey of ethyl 2-aminoacetate?
The InChIKey is NTNZTEQNFHNYBC-LBPDFUHNSA-N. The full InChI is InChI=1S/C4H9NO2/c1-2-7-4(6)3-5/h2-3,5H2,1H3/i3+1.
What are the key properties of ethyl 2-aminoacetate?
ethyl 2-aminoacetate has a molecular weight of 104.11 g/mol, XLogP of -0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-aminoacetate is sourced from PubChem (CID 45039361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).