methyl 2-cyclopropyl-2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]acetate

C12H22N2O4 — CID 103263241

IUPACmethyl 2-cyclopropyl-2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]acetate
SMILESCOCCNC(=O)CCNC(C(=O)OC)C1CC1
InChIInChI=1S/C12H22N2O4/c1-17-8-7-13-10(15)5-6-14-11(9-3-4-9)12(16)18-2/h9,11,14H,3-8H2,1-2H3,(H,13,15)
InChIKeyRNBALSBKAFDWAQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.32
Rot. Bonds9

About methyl 2-cyclopropyl-2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]acetate

methyl 2-cyclopropyl-2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]acetate (PubChem CID 103263241) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]acetate
PubChem CID103263241
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Namemethyl 2-cyclopropyl-2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]acetate
SMILESCOCCNC(=O)CCNC(C(=O)OC)C1CC1
InChIInChI=1S/C12H22N2O4/c1-17-8-7-13-10(15)5-6-14-11(9-3-4-9)12(16)18-2/h9,11,14H,3-8H2,1-2H3,(H,13,15)
InChIKeyRNBALSBKAFDWAQ-UHFFFAOYSA-N
XLogP-0.32
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-cyclopropyl-2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]acetate 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

3-(dicyclopropylmethylamino)-N-(2-methoxyethyl)propanamide
CID 112700222
methyl 2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]acetate
CID 103096980
methyl 2-cyclohexyl-2-(2-methoxyethylamino)acetate
CID 62540326
3-(1-cyclopentylethylamino)-N-(2-methoxyethyl)propanamide
CID 112700250
methyl 2-cyclopropyl-2-[[2-oxo-2-(propylamino)ethyl]amino]acetate
CID 103239088
methyl 2-cyclopropyl-2-(4-hydroxybutylamino)acetate
CID 106842801
methyl 2-(3-butoxypropylamino)-2-cyclopropylacetate
CID 103264717
3-(heptan-4-ylamino)-N-(2-methoxyethyl)propanamide
CID 115676517
N-(2-methoxyethyl)-3-(methylamino)propanamide
CID 43827811
methyl 2-cyclopropyl-2-(3-hydroxypentylamino)acetate
CID 103267655
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methoxyethyl)propanamide
CID 112701684
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]acetate?
The IUPAC name of methyl 2-cyclopropyl-2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]acetate (CID 103263241) is methyl 2-cyclopropyl-2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]acetate.
What is the SMILES notation for methyl 2-cyclopropyl-2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]acetate?
The canonical SMILES for methyl 2-cyclopropyl-2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]acetate is COCCNC(=O)CCNC(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]acetate?
The InChIKey is RNBALSBKAFDWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-17-8-7-13-10(15)5-6-14-11(9-3-4-9)12(16)18-2/h9,11,14H,3-8H2,1-2H3,(H,13,15).
What are the key properties of methyl 2-cyclopropyl-2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]acetate?
methyl 2-cyclopropyl-2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]acetate has a molecular weight of 258.32 g/mol, XLogP of -0.32, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]acetate is sourced from PubChem (CID 103263241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).