2-butoxyethyl 2-(methylamino)propanoate

C10H21NO3 — CID 62638365

IUPAC2-butoxyethyl 2-(methylamino)propanoate
SMILESCCCCOCCOC(=O)C(C)NC
InChIInChI=1S/C10H21NO3/c1-4-5-6-13-7-8-14-10(12)9(2)11-3/h9,11H,4-8H2,1-3H3
InChIKeyZFOUIXCRVUFWMB-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.95
Rot. Bonds8

About 2-butoxyethyl 2-(methylamino)propanoate

2-butoxyethyl 2-(methylamino)propanoate (PubChem CID 62638365) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-butoxyethyl 2-(methylamino)propanoate.

Molecular Properties

Compound Name2-butoxyethyl 2-(methylamino)propanoate
PubChem CID62638365
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-butoxyethyl 2-(methylamino)propanoate
SMILESCCCCOCCOC(=O)C(C)NC
InChIInChI=1S/C10H21NO3/c1-4-5-6-13-7-8-14-10(12)9(2)11-3/h9,11H,4-8H2,1-3H3
InChIKeyZFOUIXCRVUFWMB-UHFFFAOYSA-N
XLogP0.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxypropoxy)ethyl 2-(methylamino)propanoate
CID 103178278
propane;propyl (2S)-2-(methylamino)propanoate
CID 171562611
sodium;dodecyl (2S)-2-(methylamino)propanoate;hydride
CID 175427051
2-butoxyethyl (2R)-2-amino-3-methylbutanoate
CID 79009790
methyl 2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]propanoate
CID 104561977
2-butoxyethyl 3-chloro-2-methylpropanoate
CID 175064019
2-butoxyethyl 3-methyl-2-sulfanylbutanoate
CID 107018535
ethyl (2R)-2-(methylamino)propanoate;hydrochloride
CID 138987649
bis[2-(2-butoxyethoxy)ethyl] oxalate
CID 3521781
bis[2-(2-butoxyethoxy)ethyl] 2-butylpropanedioate
CID 101278845
2-hexoxyethyl 2-methylpropanoate
CID 88618751
2-[2-(2-butoxyethoxy)ethoxy]ethyl 2-amino-4-hydroxybutanoate
CID 104563663

Frequently Asked Questions

What is the IUPAC name of 2-butoxyethyl 2-(methylamino)propanoate?
The IUPAC name of 2-butoxyethyl 2-(methylamino)propanoate (CID 62638365) is 2-butoxyethyl 2-(methylamino)propanoate.
What is the SMILES notation for 2-butoxyethyl 2-(methylamino)propanoate?
The canonical SMILES for 2-butoxyethyl 2-(methylamino)propanoate is CCCCOCCOC(=O)C(C)NC.
What is the InChIKey of 2-butoxyethyl 2-(methylamino)propanoate?
The InChIKey is ZFOUIXCRVUFWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-4-5-6-13-7-8-14-10(12)9(2)11-3/h9,11H,4-8H2,1-3H3.
What are the key properties of 2-butoxyethyl 2-(methylamino)propanoate?
2-butoxyethyl 2-(methylamino)propanoate has a molecular weight of 203.28 g/mol, XLogP of 0.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethyl 2-(methylamino)propanoate is sourced from PubChem (CID 62638365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).