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

C8H15NO4 — CID 62338582

IUPACethyl 2-[2-hydroxypropyl(methyl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)N(C)CC(C)O
InChIInChI=1S/C8H15NO4/c1-4-13-8(12)7(11)9(3)5-6(2)10/h6,10H,4-5H2,1-3H3
InChIKeyWIQZGKVNGJHMMF-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.61
Rot. Bonds3

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

ethyl 2-[2-hydroxypropyl(methyl)amino]-2-oxoacetate (PubChem CID 62338582) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is ethyl 2-[2-hydroxypropyl(methyl)amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[2-hydroxypropyl(methyl)amino]-2-oxoacetate
PubChem CID62338582
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Nameethyl 2-[2-hydroxypropyl(methyl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)N(C)CC(C)O
InChIInChI=1S/C8H15NO4/c1-4-13-8(12)7(11)9(3)5-6(2)10/h6,10H,4-5H2,1-3H3
InChIKeyWIQZGKVNGJHMMF-UHFFFAOYSA-N
XLogP-0.61
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[methyl(2-methylpropyl)amino]-2-oxoacetate
CID 60895382
ethyl 2-[methyl(propan-2-yl)amino]-2-oxoacetate
CID 60893933
ethyl 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoacetate
CID 60895023
N-(2-hydroxypropyl)-N-methylpropanamide
CID 18720717
3-[(2-ethoxy-2-oxoacetyl)-methylamino]butanoic acid
CID 155341157
2-[(2-ethoxy-2-oxoacetyl)-ethylamino]propanoic acid
CID 175018742
butan-2-ol;ethyl 2-methylprop-2-enoate
CID 91162607
ethyl 2-oxo(213C)propanoate
CID 71309469
ethyl 3-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 10682716
bis(butan-2-ol);ethyl acetate
CID 139558654
1-(2-hydroxypropyl)-1,3,3-trimethylurea
CID 79153852
CID 159370772
CID 159370772

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-hydroxypropyl(methyl)amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[2-hydroxypropyl(methyl)amino]-2-oxoacetate (CID 62338582) is ethyl 2-[2-hydroxypropyl(methyl)amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[2-hydroxypropyl(methyl)amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[2-hydroxypropyl(methyl)amino]-2-oxoacetate is CCOC(=O)C(=O)N(C)CC(C)O.
What is the InChIKey of ethyl 2-[2-hydroxypropyl(methyl)amino]-2-oxoacetate?
The InChIKey is WIQZGKVNGJHMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-4-13-8(12)7(11)9(3)5-6(2)10/h6,10H,4-5H2,1-3H3.
What are the key properties of ethyl 2-[2-hydroxypropyl(methyl)amino]-2-oxoacetate?
ethyl 2-[2-hydroxypropyl(methyl)amino]-2-oxoacetate has a molecular weight of 189.21 g/mol, XLogP of -0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-hydroxypropyl(methyl)amino]-2-oxoacetate is sourced from PubChem (CID 62338582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).