ethyl (2R)-2-acetamido-2-(dimethylamino)acetate

C8H16N2O3 — CID 92980719

IUPACethyl (2R)-2-acetamido-2-(dimethylamino)acetate
SMILESCCOC(=O)[C@H](NC(C)=O)N(C)C
InChIInChI=1S/C8H16N2O3/c1-5-13-8(12)7(10(3)4)9-6(2)11/h7H,5H2,1-4H3,(H,9,11)/t7-/m1/s1
InChIKeyHCSTUIOHBKWESR-SSDOTTSWSA-N
MW188.23 g/mol
LogP-0.43
Rot. Bonds4

About ethyl (2R)-2-acetamido-2-(dimethylamino)acetate

ethyl (2R)-2-acetamido-2-(dimethylamino)acetate (PubChem CID 92980719) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is ethyl (2R)-2-acetamido-2-(dimethylamino)acetate.

Molecular Properties

Compound Nameethyl (2R)-2-acetamido-2-(dimethylamino)acetate
PubChem CID92980719
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Nameethyl (2R)-2-acetamido-2-(dimethylamino)acetate
SMILESCCOC(=O)[C@H](NC(C)=O)N(C)C
InChIInChI=1S/C8H16N2O3/c1-5-13-8(12)7(10(3)4)9-6(2)11/h7H,5H2,1-4H3,(H,9,11)/t7-/m1/s1
InChIKeyHCSTUIOHBKWESR-SSDOTTSWSA-N
XLogP-0.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
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-2-[methoxy(methyl)amino]acetate
CID 14860700
ethyl (2S)-2-acetamidopropanoate
CID 11805045
N-[5-(dimethylamino)hexan-2-yl]acetamide
CID 59721263
ethyl 2-acetamido-2-chloroacetate
CID 44557246
ethyl 2-acetamido-2-(methylamino)acetate
CID 14860687
ethyl 2-acetamido-3-hydroxypropanoate
CID 14420231
diethyl 2,3-bis(dimethylamino)butanedioate
CID 13493507
1-O,1-O-diethyl 2-O-propan-2-yl 2-acetamidoethane-1,1,2-tricarboxylate
CID 102516667
2-O-ethyl 1-O,1-O-dimethyl 2-acetamidoethane-1,1,2-tricarboxylate
CID 134999943
diethyl 2-acetamidopropanedioate;diethyl 2-aminopropanedioate;hydrochloride
CID 159088657
(1-acetamido-2-ethoxy-2-oxoethyl)-hydroxy-dimethylazanium
CID 19029223
ethyl (2S)-2-(dimethylamino)butanoate
CID 51673671

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-acetamido-2-(dimethylamino)acetate?
The IUPAC name of ethyl (2R)-2-acetamido-2-(dimethylamino)acetate (CID 92980719) is ethyl (2R)-2-acetamido-2-(dimethylamino)acetate.
What is the SMILES notation for ethyl (2R)-2-acetamido-2-(dimethylamino)acetate?
The canonical SMILES for ethyl (2R)-2-acetamido-2-(dimethylamino)acetate is CCOC(=O)[C@H](NC(C)=O)N(C)C.
What is the InChIKey of ethyl (2R)-2-acetamido-2-(dimethylamino)acetate?
The InChIKey is HCSTUIOHBKWESR-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-5-13-8(12)7(10(3)4)9-6(2)11/h7H,5H2,1-4H3,(H,9,11)/t7-/m1/s1.
What are the key properties of ethyl (2R)-2-acetamido-2-(dimethylamino)acetate?
ethyl (2R)-2-acetamido-2-(dimethylamino)acetate has a molecular weight of 188.23 g/mol, XLogP of -0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-acetamido-2-(dimethylamino)acetate is sourced from PubChem (CID 92980719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).