2-[formyl(methyl)amino]ethyl 2-methylpropanoate

C8H15NO3 — CID 89217664

IUPAC2-[formyl(methyl)amino]ethyl 2-methylpropanoate
SMILESCC(C)C(=O)OCCN(C)C=O
InChIInChI=1S/C8H15NO3/c1-7(2)8(11)12-5-4-9(3)6-10/h6-7H,4-5H2,1-3H3
InChIKeyACKLSONJKIMEQC-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.27
Rot. Bonds5

About 2-[formyl(methyl)amino]ethyl 2-methylpropanoate

2-[formyl(methyl)amino]ethyl 2-methylpropanoate (PubChem CID 89217664) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-[formyl(methyl)amino]ethyl 2-methylpropanoate.

Molecular Properties

Compound Name2-[formyl(methyl)amino]ethyl 2-methylpropanoate
PubChem CID89217664
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-[formyl(methyl)amino]ethyl 2-methylpropanoate
SMILESCC(C)C(=O)OCCN(C)C=O
InChIInChI=1S/C8H15NO3/c1-7(2)8(11)12-5-4-9(3)6-10/h6-7H,4-5H2,1-3H3
InChIKeyACKLSONJKIMEQC-UHFFFAOYSA-N
XLogP0.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-(dimethylamino)-3-oxopropyl] 2-methylpropanoate
CID 134364570
3-[methyl(prop-2-enoyl)amino]propyl 2-methylpropanoate
CID 134486156
N-(3-aminobutyl)-N-methylformamide
CID 90741055
2-[ethyl(2-methoxyethyl)amino]ethyl 2-methylpropanoate
CID 89149379
N-[2-(2-butoxyethoxy)ethyl]-N-methylformamide;2-methylpropane
CID 155751635
methyl 3-[formyl(methyl)amino]-2-methylpropanoate
CID 64992660
3-(diethylamino)propyl 2-methylpropanoate
CID 58333619
2-(dimethylamino)ethyl 2-hydroxypropanoate
CID 14179203
2-(2-iodopropanoyloxy)ethyl 2-methylpropanoate
CID 166970068
ethyl 2-methylpropanoate;formic acid
CID 175762228
3-aminopropyl 2-methylpropanoate
CID 59078098
tris[2-(2-methylpropanoyloxy)ethyl]azanium
CID 154048574

Frequently Asked Questions

What is the IUPAC name of 2-[formyl(methyl)amino]ethyl 2-methylpropanoate?
The IUPAC name of 2-[formyl(methyl)amino]ethyl 2-methylpropanoate (CID 89217664) is 2-[formyl(methyl)amino]ethyl 2-methylpropanoate.
What is the SMILES notation for 2-[formyl(methyl)amino]ethyl 2-methylpropanoate?
The canonical SMILES for 2-[formyl(methyl)amino]ethyl 2-methylpropanoate is CC(C)C(=O)OCCN(C)C=O.
What is the InChIKey of 2-[formyl(methyl)amino]ethyl 2-methylpropanoate?
The InChIKey is ACKLSONJKIMEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-7(2)8(11)12-5-4-9(3)6-10/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-[formyl(methyl)amino]ethyl 2-methylpropanoate?
2-[formyl(methyl)amino]ethyl 2-methylpropanoate has a molecular weight of 173.21 g/mol, XLogP of 0.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[formyl(methyl)amino]ethyl 2-methylpropanoate is sourced from PubChem (CID 89217664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).