ethyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]pentanoate

C16H30N2O3 — CID 82735009

IUPACethyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]pentanoate
SMILESCCOC(=O)C(C)(CC(C)N(C)C1CCOC1)NC1CC1
InChIInChI=1S/C16H30N2O3/c1-5-21-15(19)16(3,17-13-6-7-13)10-12(2)18(4)14-8-9-20-11-14/h12-14,17H,5-11H2,1-4H3
InChIKeyFKSSMGPHZLEABU-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.56
Rot. Bonds8

About ethyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]pentanoate

ethyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]pentanoate (PubChem CID 82735009) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is ethyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]pentanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]pentanoate
PubChem CID82735009
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nameethyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]pentanoate
SMILESCCOC(=O)C(C)(CC(C)N(C)C1CCOC1)NC1CC1
InChIInChI=1S/C16H30N2O3/c1-5-21-15(19)16(3,17-13-6-7-13)10-12(2)18(4)14-8-9-20-11-14/h12-14,17H,5-11H2,1-4H3
InChIKeyFKSSMGPHZLEABU-UHFFFAOYSA-N
XLogP1.56
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]pentanoate?
The IUPAC name of ethyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]pentanoate (CID 82735009) is ethyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]pentanoate.
What is the SMILES notation for ethyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]pentanoate?
The canonical SMILES for ethyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]pentanoate is CCOC(=O)C(C)(CC(C)N(C)C1CCOC1)NC1CC1.
What is the InChIKey of ethyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]pentanoate?
The InChIKey is FKSSMGPHZLEABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-5-21-15(19)16(3,17-13-6-7-13)10-12(2)18(4)14-8-9-20-11-14/h12-14,17H,5-11H2,1-4H3.
What are the key properties of ethyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]pentanoate?
ethyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]pentanoate has a molecular weight of 298.43 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]pentanoate is sourced from PubChem (CID 82735009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).