methyl 2-cyclopropyl-2-[3-(diethylamino)propylamino]acetate

C13H26N2O2 — CID 103234575

IUPACmethyl 2-cyclopropyl-2-[3-(diethylamino)propylamino]acetate
SMILESCCN(CC)CCCNC(C(=O)OC)C1CC1
InChIInChI=1S/C13H26N2O2/c1-4-15(5-2)10-6-9-14-12(11-7-8-11)13(16)17-3/h11-12,14H,4-10H2,1-3H3
InChIKeyFOLWKIURNCBNAC-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.26
Rot. Bonds9

About methyl 2-cyclopropyl-2-[3-(diethylamino)propylamino]acetate

methyl 2-cyclopropyl-2-[3-(diethylamino)propylamino]acetate (PubChem CID 103234575) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-[3-(diethylamino)propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-[3-(diethylamino)propylamino]acetate
PubChem CID103234575
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Namemethyl 2-cyclopropyl-2-[3-(diethylamino)propylamino]acetate
SMILESCCN(CC)CCCNC(C(=O)OC)C1CC1
InChIInChI=1S/C13H26N2O2/c1-4-15(5-2)10-6-9-14-12(11-7-8-11)13(16)17-3/h11-12,14H,4-10H2,1-3H3
InChIKeyFOLWKIURNCBNAC-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.26
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 2-cyclopropyl-2-(4-hydroxybutylamino)acetate
CID 106842801
methyl 2-(3-butoxypropylamino)-2-cyclopropylacetate
CID 103264717
methyl 2-[3-(diethylamino)propylamino]butanoate
CID 115352179
methyl 2-[2-(diethylamino)ethylamino]-2-(oxan-3-yl)acetate
CID 63742191
methyl 2-cyclopropyl-2-[3-(diethylamino)propyl-ethylamino]acetate
CID 102994748
methyl 2-cyclopropyl-2-[(2-ethyl-4-hydroxybutyl)amino]acetate
CID 103258992
methyl 2-cyclopropyl-2-[[2-oxo-2-(propylamino)ethyl]amino]acetate
CID 103239088
methyl 2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]acetate
CID 103096980
methyl 2-cyclopropyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetate
CID 103233428
methyl 2-cyclohexyl-2-(2-methoxyethylamino)acetate
CID 62540326
methyl 2-cyclopropyl-2-(2-piperidin-1-ylethylamino)acetate
CID 103244360
methyl 2-cyclopropyl-2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetate
CID 103261473

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-[3-(diethylamino)propylamino]acetate?
The IUPAC name of methyl 2-cyclopropyl-2-[3-(diethylamino)propylamino]acetate (CID 103234575) is methyl 2-cyclopropyl-2-[3-(diethylamino)propylamino]acetate.
What is the SMILES notation for methyl 2-cyclopropyl-2-[3-(diethylamino)propylamino]acetate?
The canonical SMILES for methyl 2-cyclopropyl-2-[3-(diethylamino)propylamino]acetate is CCN(CC)CCCNC(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-[3-(diethylamino)propylamino]acetate?
The InChIKey is FOLWKIURNCBNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-15(5-2)10-6-9-14-12(11-7-8-11)13(16)17-3/h11-12,14H,4-10H2,1-3H3.
What are the key properties of methyl 2-cyclopropyl-2-[3-(diethylamino)propylamino]acetate?
methyl 2-cyclopropyl-2-[3-(diethylamino)propylamino]acetate has a molecular weight of 242.36 g/mol, XLogP of 1.26, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-[3-(diethylamino)propylamino]acetate is sourced from PubChem (CID 103234575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).