methyl 3-(2-ethoxyethylamino)butanoate

C9H19NO3 — CID 43590969

IUPACmethyl 3-(2-ethoxyethylamino)butanoate
SMILESCCOCCNC(C)CC(=O)OC
InChIInChI=1S/C9H19NO3/c1-4-13-6-5-10-8(2)7-9(11)12-3/h8,10H,4-7H2,1-3H3
InChIKeyKFBXAKOPXKWDEK-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.56
Rot. Bonds7

About methyl 3-(2-ethoxyethylamino)butanoate

methyl 3-(2-ethoxyethylamino)butanoate (PubChem CID 43590969) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is methyl 3-(2-ethoxyethylamino)butanoate.

Molecular Properties

Compound Namemethyl 3-(2-ethoxyethylamino)butanoate
PubChem CID43590969
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Namemethyl 3-(2-ethoxyethylamino)butanoate
SMILESCCOCCNC(C)CC(=O)OC
InChIInChI=1S/C9H19NO3/c1-4-13-6-5-10-8(2)7-9(11)12-3/h8,10H,4-7H2,1-3H3
InChIKeyKFBXAKOPXKWDEK-UHFFFAOYSA-N
XLogP0.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.56
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

methyl 3-(2-but-3-enoxyethylamino)butanoate
CID 103952227
methyl 3-(dodecylamino)butanoate
CID 110188383
ethyl 3-(2-but-3-enoxyethylamino)butanoate
CID 106401724
ethyl (2S)-2-(2-ethoxyethylamino)propanoate
CID 88726187
3-(2-propoxyethylamino)butanamide
CID 106452583
N-[2-(2-ethoxyethoxy)ethyl]butan-2-amine
CID 62565963
methyl 3-(pent-3-ynylamino)butanoate
CID 116643964
2-(2-ethoxyethylamino)-3-methylbutanoic acid
CID 43468734
ethyl 3-[3-(2-hydroxyethoxy)propylamino]butanoate
CID 106305458
methyl 3-(but-2-ynylamino)butanoate
CID 115977869
2-(2-ethoxyethylamino)butanoic acid
CID 64668941
ethyl 3-[(4-ethoxy-4-oxobutyl)amino]butanoate
CID 64579524

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-ethoxyethylamino)butanoate?
The IUPAC name of methyl 3-(2-ethoxyethylamino)butanoate (CID 43590969) is methyl 3-(2-ethoxyethylamino)butanoate.
What is the SMILES notation for methyl 3-(2-ethoxyethylamino)butanoate?
The canonical SMILES for methyl 3-(2-ethoxyethylamino)butanoate is CCOCCNC(C)CC(=O)OC.
What is the InChIKey of methyl 3-(2-ethoxyethylamino)butanoate?
The InChIKey is KFBXAKOPXKWDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-4-13-6-5-10-8(2)7-9(11)12-3/h8,10H,4-7H2,1-3H3.
What are the key properties of methyl 3-(2-ethoxyethylamino)butanoate?
methyl 3-(2-ethoxyethylamino)butanoate has a molecular weight of 189.25 g/mol, XLogP of 0.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-ethoxyethylamino)butanoate is sourced from PubChem (CID 43590969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).