methyl 4-(2-cyclopropylethoxy)-2-(ethylamino)butanoate

C12H23NO3 — CID 106204341

IUPACmethyl 4-(2-cyclopropylethoxy)-2-(ethylamino)butanoate
SMILESCCNC(CCOCCC1CC1)C(=O)OC
InChIInChI=1S/C12H23NO3/c1-3-13-11(12(14)15-2)7-9-16-8-6-10-4-5-10/h10-11,13H,3-9H2,1-2H3
InChIKeyIGWONVXXJDKXRD-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.34
Rot. Bonds9

About methyl 4-(2-cyclopropylethoxy)-2-(ethylamino)butanoate

methyl 4-(2-cyclopropylethoxy)-2-(ethylamino)butanoate (PubChem CID 106204341) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is methyl 4-(2-cyclopropylethoxy)-2-(ethylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(2-cyclopropylethoxy)-2-(ethylamino)butanoate
PubChem CID106204341
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Namemethyl 4-(2-cyclopropylethoxy)-2-(ethylamino)butanoate
SMILESCCNC(CCOCCC1CC1)C(=O)OC
InChIInChI=1S/C12H23NO3/c1-3-13-11(12(14)15-2)7-9-16-8-6-10-4-5-10/h10-11,13H,3-9H2,1-2H3
InChIKeyIGWONVXXJDKXRD-UHFFFAOYSA-N
XLogP1.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 4-(2-cyclopropylethoxy)-2-(ethylamino)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(ethylamino)-4-(4-methylpentoxy)butanoate
CID 63041531
methyl 2-amino-4-(2-cyclopropylethoxy)butanoate
CID 106204239
methyl 2-(ethylamino)-4-(2-propan-2-yloxyethoxy)butanoate
CID 63040990
methyl 2-(ethylamino)-4-methoxybutanoate
CID 63041387
ethyl 4-(2-cyclobutylethoxy)-2-(propylamino)butanoate
CID 114157841
methyl 4-cyclobutyloxy-2-(ethylamino)butanoate
CID 63033180
4-(2-cyclopropylethoxy)-N-ethylbutan-2-amine
CID 106200792
4-(2-cyclopropylethoxy)-2-(propan-2-ylamino)butanamide
CID 106204298
methyl 2-(ethylamino)-4-(3-phenylpropoxy)butanoate
CID 63034614
2-(ethylamino)-4-(2-methoxyethoxy)butanamide
CID 63041176
ethyl 2-(ethylamino)-4-(2-propoxyethoxy)butanoate
CID 63686784
ethyl 2-(ethylamino)-4-(4,4,4-trifluorobutoxy)butanoate
CID 82787989

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-cyclopropylethoxy)-2-(ethylamino)butanoate?
The IUPAC name of methyl 4-(2-cyclopropylethoxy)-2-(ethylamino)butanoate (CID 106204341) is methyl 4-(2-cyclopropylethoxy)-2-(ethylamino)butanoate.
What is the SMILES notation for methyl 4-(2-cyclopropylethoxy)-2-(ethylamino)butanoate?
The canonical SMILES for methyl 4-(2-cyclopropylethoxy)-2-(ethylamino)butanoate is CCNC(CCOCCC1CC1)C(=O)OC.
What is the InChIKey of methyl 4-(2-cyclopropylethoxy)-2-(ethylamino)butanoate?
The InChIKey is IGWONVXXJDKXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-13-11(12(14)15-2)7-9-16-8-6-10-4-5-10/h10-11,13H,3-9H2,1-2H3.
What are the key properties of methyl 4-(2-cyclopropylethoxy)-2-(ethylamino)butanoate?
methyl 4-(2-cyclopropylethoxy)-2-(ethylamino)butanoate has a molecular weight of 229.32 g/mol, XLogP of 1.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-cyclopropylethoxy)-2-(ethylamino)butanoate is sourced from PubChem (CID 106204341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).