ethyl 2-(methylaminomethyl)butanoate

C8H17NO2 — CID 23272258

IUPACethyl 2-(methylaminomethyl)butanoate
SMILESCCOC(=O)C(CC)CNC
InChIInChI=1S/C8H17NO2/c1-4-7(6-9-3)8(10)11-5-2/h7,9H,4-6H2,1-3H3
InChIKeyFRGYCZZMJSPZJT-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.80
Rot. Bonds5

About ethyl 2-(methylaminomethyl)butanoate

ethyl 2-(methylaminomethyl)butanoate (PubChem CID 23272258) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is ethyl 2-(methylaminomethyl)butanoate.

Molecular Properties

Compound Nameethyl 2-(methylaminomethyl)butanoate
PubChem CID23272258
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Nameethyl 2-(methylaminomethyl)butanoate
SMILESCCOC(=O)C(CC)CNC
InChIInChI=1S/C8H17NO2/c1-4-7(6-9-3)8(10)11-5-2/h7,9H,4-6H2,1-3H3
InChIKeyFRGYCZZMJSPZJT-UHFFFAOYSA-N
XLogP0.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

butyl 2-(methylaminomethyl)butanoate
CID 174762304
ethyl 2-ethylbutanoate;λ2-stannane
CID 175348208
sodium;ethyl 2-ethylbutanoate;hydride
CID 174848178
ethyl (2S)-2-amino-3-(methylamino)propanoate
CID 59103878
3-(methylaminomethyl)heptan-4-one
CID 116923839
carbonic acid;ethyl 2-ethylhexanoate
CID 175024500
ethyl 2-ethyldocosanoate
CID 175304380
ethyl 2-[(3-bromophenyl)methyl]-3-(methylamino)propanoate
CID 44890952
ethyl (2R)-2-[(3-methoxyphenyl)methyl]-3-(methylamino)propanoate
CID 25418419
N-methyl-2-(methylaminomethyl)-N-propan-2-ylbutanamide
CID 115188783
ethene;ethyl 2-propylpentanoate
CID 160741230
tetraethyl pentane-1,2,4,5-tetracarboxylate
CID 12576810

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methylaminomethyl)butanoate?
The IUPAC name of ethyl 2-(methylaminomethyl)butanoate (CID 23272258) is ethyl 2-(methylaminomethyl)butanoate.
What is the SMILES notation for ethyl 2-(methylaminomethyl)butanoate?
The canonical SMILES for ethyl 2-(methylaminomethyl)butanoate is CCOC(=O)C(CC)CNC.
What is the InChIKey of ethyl 2-(methylaminomethyl)butanoate?
The InChIKey is FRGYCZZMJSPZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-7(6-9-3)8(10)11-5-2/h7,9H,4-6H2,1-3H3.
What are the key properties of ethyl 2-(methylaminomethyl)butanoate?
ethyl 2-(methylaminomethyl)butanoate has a molecular weight of 159.23 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methylaminomethyl)butanoate is sourced from PubChem (CID 23272258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).