methyl 2-cyclopropyl-2-(2-methoxyethylamino)butanoate

C11H21NO3 — CID 64918055

IUPACmethyl 2-cyclopropyl-2-(2-methoxyethylamino)butanoate
SMILESCCC(NCCOC)(C(=O)OC)C1CC1
InChIInChI=1S/C11H21NO3/c1-4-11(9-5-6-9,10(13)15-3)12-7-8-14-2/h9,12H,4-8H2,1-3H3
InChIKeyZUJHYTPMAVJFBW-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.95
Rot. Bonds7

About methyl 2-cyclopropyl-2-(2-methoxyethylamino)butanoate

methyl 2-cyclopropyl-2-(2-methoxyethylamino)butanoate (PubChem CID 64918055) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-(2-methoxyethylamino)butanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-(2-methoxyethylamino)butanoate
PubChem CID64918055
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 2-cyclopropyl-2-(2-methoxyethylamino)butanoate
SMILESCCC(NCCOC)(C(=O)OC)C1CC1
InChIInChI=1S/C11H21NO3/c1-4-11(9-5-6-9,10(13)15-3)12-7-8-14-2/h9,12H,4-8H2,1-3H3
InChIKeyZUJHYTPMAVJFBW-UHFFFAOYSA-N
XLogP0.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-cyclopropyl-2-(2-methoxyethylamino)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-cyclopropyl-3-(3-methoxypropylsulfanyl)-2-(propylamino)propanoate
CID 63921066
methyl 2-cyclopropyl-2-(propylamino)-3-(2,2,2-trifluoroethoxy)propanoate
CID 63918602
methyl 2-cyclopropyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propylamino)propanoate
CID 115942540
2-cyclopropyl-2-N-(2-methoxyethyl)butane-1,2-diamine
CID 64919093
methyl 2-cyclopropyl-3-(dimethylamino)-2-(ethylamino)propanoate
CID 63906010
methyl 2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propylamino)propanoate
CID 63909725
methyl 2-cyclopropyl-3-(3-methoxypropylsulfanyl)-2-(methylamino)propanoate
CID 63921067
methyl 2-cyclopropyl-3-ethylsulfanyl-2-(methylamino)propanoate
CID 63915905
methyl 3-[butan-2-yl(2-methoxyethyl)amino]-2-cyclopropyl-2-(methylamino)propanoate
CID 63910377
methyl 2-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]-2-(propylamino)propanoate
CID 63956079
methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propanoate
CID 63906340
methyl 2-cyclopropyl-3-(2-ethoxyethoxy)-2-(methylamino)propanoate
CID 63919167

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-(2-methoxyethylamino)butanoate?
The IUPAC name of methyl 2-cyclopropyl-2-(2-methoxyethylamino)butanoate (CID 64918055) is methyl 2-cyclopropyl-2-(2-methoxyethylamino)butanoate.
What is the SMILES notation for methyl 2-cyclopropyl-2-(2-methoxyethylamino)butanoate?
The canonical SMILES for methyl 2-cyclopropyl-2-(2-methoxyethylamino)butanoate is CCC(NCCOC)(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-(2-methoxyethylamino)butanoate?
The InChIKey is ZUJHYTPMAVJFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-11(9-5-6-9,10(13)15-3)12-7-8-14-2/h9,12H,4-8H2,1-3H3.
What are the key properties of methyl 2-cyclopropyl-2-(2-methoxyethylamino)butanoate?
methyl 2-cyclopropyl-2-(2-methoxyethylamino)butanoate has a molecular weight of 215.29 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-(2-methoxyethylamino)butanoate is sourced from PubChem (CID 64918055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).