ethyl 2-acetamido-2-(methylamino)acetate

C7H14N2O3 — CID 14860687

IUPACethyl 2-acetamido-2-(methylamino)acetate
SMILESCCOC(=O)C(NC)NC(C)=O
InChIInChI=1S/C7H14N2O3/c1-4-12-7(11)6(8-3)9-5(2)10/h6,8H,4H2,1-3H3,(H,9,10)
InChIKeyZJBTWGZRAZDAAX-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.77
Rot. Bonds4

About ethyl 2-acetamido-2-(methylamino)acetate

ethyl 2-acetamido-2-(methylamino)acetate (PubChem CID 14860687) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is ethyl 2-acetamido-2-(methylamino)acetate.

Molecular Properties

Compound Nameethyl 2-acetamido-2-(methylamino)acetate
PubChem CID14860687
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Nameethyl 2-acetamido-2-(methylamino)acetate
SMILESCCOC(=O)C(NC)NC(C)=O
InChIInChI=1S/C7H14N2O3/c1-4-12-7(11)6(8-3)9-5(2)10/h6,8H,4H2,1-3H3,(H,9,10)
InChIKeyZJBTWGZRAZDAAX-UHFFFAOYSA-N
XLogP-0.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-acetamido-3-hydroxypropanoate
CID 14420231
ethyl (2S)-2-acetamidopropanoate
CID 11805045
ethyl 2-acetamido-2-chloroacetate
CID 44557246
(1-acetamido-2-ethoxy-2-oxoethyl)-hydroxy-dimethylazanium
CID 19029223
2-O-ethyl 1-O,1-O-dimethyl 2-acetamidoethane-1,1,2-tricarboxylate
CID 134999943
ethyl (2R)-2-acetamido-2-(dimethylamino)acetate
CID 92980719
diethyl 2-acetamidopropanedioate;diethyl 2-aminopropanedioate;hydrochloride
CID 159088657
ethyl 2-acetamido-2-(1H-pyrazol-5-ylamino)acetate
CID 14860690
ethyl (2R)-2-(methylamino)propanoate;hydrochloride
CID 138987649
ethyl 2-acetamido-4-bromo-3-oxobutanoate
CID 15137540
ethyl 2-acetamido-4-methoxybutanoate
CID 137321070
ethyl (2R)-2-acetamido-4,4,4-trichloro-3-oxobutanoate
CID 2313183

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-2-(methylamino)acetate?
The IUPAC name of ethyl 2-acetamido-2-(methylamino)acetate (CID 14860687) is ethyl 2-acetamido-2-(methylamino)acetate.
What is the SMILES notation for ethyl 2-acetamido-2-(methylamino)acetate?
The canonical SMILES for ethyl 2-acetamido-2-(methylamino)acetate is CCOC(=O)C(NC)NC(C)=O.
What is the InChIKey of ethyl 2-acetamido-2-(methylamino)acetate?
The InChIKey is ZJBTWGZRAZDAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-4-12-7(11)6(8-3)9-5(2)10/h6,8H,4H2,1-3H3,(H,9,10).
What are the key properties of ethyl 2-acetamido-2-(methylamino)acetate?
ethyl 2-acetamido-2-(methylamino)acetate has a molecular weight of 174.20 g/mol, XLogP of -0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-2-(methylamino)acetate is sourced from PubChem (CID 14860687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).