ethyl 2-(ethylamino)-4-methoxybutanoate

C9H19NO3 — CID 63041386

IUPACethyl 2-(ethylamino)-4-methoxybutanoate
SMILESCCNC(CCOC)C(=O)OCC
InChIInChI=1S/C9H19NO3/c1-4-10-8(6-7-12-3)9(11)13-5-2/h8,10H,4-7H2,1-3H3
InChIKeyDUJQQLBWXOUNBH-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.56
Rot. Bonds7

About ethyl 2-(ethylamino)-4-methoxybutanoate

ethyl 2-(ethylamino)-4-methoxybutanoate (PubChem CID 63041386) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is ethyl 2-(ethylamino)-4-methoxybutanoate.

Molecular Properties

Compound Nameethyl 2-(ethylamino)-4-methoxybutanoate
PubChem CID63041386
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Nameethyl 2-(ethylamino)-4-methoxybutanoate
SMILESCCNC(CCOC)C(=O)OCC
InChIInChI=1S/C9H19NO3/c1-4-10-8(6-7-12-3)9(11)13-5-2/h8,10H,4-7H2,1-3H3
InChIKeyDUJQQLBWXOUNBH-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

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Related Compounds

methyl 2-(ethylamino)-4-methoxybutanoate
CID 63041387
ethyl 2-(ethylamino)-4-(2-propoxyethoxy)butanoate
CID 63686784
ethyl 2-acetamido-4-methoxybutanoate
CID 137321070
ethyl 4-(dimethylamino)-2-(ethylamino)butanoate
CID 63028800
2-(ethylamino)-4-(2-methoxyethoxy)butanamide
CID 63041176
ethyl (2S)-2-(ethylamino)-4-ethylsulfanylbutanoate
CID 151544436
ethyl 2-(ethylamino)-4-propylsulfanylbutanoate
CID 63035701
ethyl 2-(ethylamino)-4-(oxetan-3-yloxy)butanoate
CID 102607501
ethyl 2-(ethylamino)-4-(3-methylphenoxy)butanoate
CID 63041210
ethyl 2-(ethylamino)-4-propan-2-ylsulfanylbutanoate
CID 63033263
ethyl 2-(ethylamino)-4-(4,4,4-trifluorobutoxy)butanoate
CID 82787989
ethyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate
CID 63034432

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylamino)-4-methoxybutanoate?
The IUPAC name of ethyl 2-(ethylamino)-4-methoxybutanoate (CID 63041386) is ethyl 2-(ethylamino)-4-methoxybutanoate.
What is the SMILES notation for ethyl 2-(ethylamino)-4-methoxybutanoate?
The canonical SMILES for ethyl 2-(ethylamino)-4-methoxybutanoate is CCNC(CCOC)C(=O)OCC.
What is the InChIKey of ethyl 2-(ethylamino)-4-methoxybutanoate?
The InChIKey is DUJQQLBWXOUNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-4-10-8(6-7-12-3)9(11)13-5-2/h8,10H,4-7H2,1-3H3.
What are the key properties of ethyl 2-(ethylamino)-4-methoxybutanoate?
ethyl 2-(ethylamino)-4-methoxybutanoate 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 ethyl 2-(ethylamino)-4-methoxybutanoate is sourced from PubChem (CID 63041386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).