acetyl 2-(ethylamino)acetate

C6H11NO3 — CID 87392934

IUPACacetyl 2-(ethylamino)acetate
SMILESCCNCC(=O)OC(C)=O
InChIInChI=1S/C6H11NO3/c1-3-7-4-6(9)10-5(2)8/h7H,3-4H2,1-2H3
InChIKeyVAQKLLRTYKOWSB-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.31
Rot. Bonds3

About acetyl 2-(ethylamino)acetate

acetyl 2-(ethylamino)acetate (PubChem CID 87392934) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is acetyl 2-(ethylamino)acetate.

Molecular Properties

Compound Nameacetyl 2-(ethylamino)acetate
PubChem CID87392934
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Nameacetyl 2-(ethylamino)acetate
SMILESCCNCC(=O)OC(C)=O
InChIInChI=1S/C6H11NO3/c1-3-7-4-6(9)10-5(2)8/h7H,3-4H2,1-2H3
InChIKeyVAQKLLRTYKOWSB-UHFFFAOYSA-N
XLogP-0.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-Ethylglycine
CID 316542
Ethyl acetamidoacetate
CID 74702
Ethyl N-methylaminoacetate hydrochloride
CID 171173
Methyl 2-acetamidoacetate
CID 517966
Diethyl iminodiacetate
CID 80502
Sarcosine methyl ester
CID 83545
Glycine, N-methyl-, ethyl ester
CID 95849
Ethyl 2-(ethylamino)acetate
CID 12591597
Glycine, N-methyl-, methyl ester, hydrochloride (1:1)
CID 83544
(Ethylammonio)acetate
CID 6992079
Dimethyl Iminodiacetate Hydrochloride
CID 2727727
Methyl 2-[(2-methoxy-2-oxoethyl)amino]acetate
CID 428827

Frequently Asked Questions

What is the IUPAC name of acetyl 2-(ethylamino)acetate?
The IUPAC name of acetyl 2-(ethylamino)acetate (CID 87392934) is acetyl 2-(ethylamino)acetate.
What is the SMILES notation for acetyl 2-(ethylamino)acetate?
The canonical SMILES for acetyl 2-(ethylamino)acetate is CCNCC(=O)OC(C)=O.
What is the InChIKey of acetyl 2-(ethylamino)acetate?
The InChIKey is VAQKLLRTYKOWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-3-7-4-6(9)10-5(2)8/h7H,3-4H2,1-2H3.
What are the key properties of acetyl 2-(ethylamino)acetate?
acetyl 2-(ethylamino)acetate has a molecular weight of 145.16 g/mol, XLogP of -0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl 2-(ethylamino)acetate is sourced from PubChem (CID 87392934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).