methyl 2-(cyclopropylamino)-2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanoate

C16H30N2O2 — CID 63864868

IUPACmethyl 2-(cyclopropylamino)-2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanoate
SMILESCOC(=O)C(C)(CCCN(C)CC1CC1C)NC1CC1
InChIInChI=1S/C16H30N2O2/c1-12-10-13(12)11-18(3)9-5-8-16(2,15(19)20-4)17-14-6-7-14/h12-14,17H,5-11H2,1-4H3
InChIKeyIYAMYKXPBWHGTC-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.04
Rot. Bonds9

About methyl 2-(cyclopropylamino)-2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanoate

methyl 2-(cyclopropylamino)-2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanoate (PubChem CID 63864868) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanoate
PubChem CID63864868
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Namemethyl 2-(cyclopropylamino)-2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanoate
SMILESCOC(=O)C(C)(CCCN(C)CC1CC1C)NC1CC1
InChIInChI=1S/C16H30N2O2/c1-12-10-13(12)11-18(3)9-5-8-16(2,15(19)20-4)17-14-6-7-14/h12-14,17H,5-11H2,1-4H3
InChIKeyIYAMYKXPBWHGTC-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanoate (CID 63864868) is methyl 2-(cyclopropylamino)-2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanoate is COC(=O)C(C)(CCCN(C)CC1CC1C)NC1CC1.
What is the InChIKey of methyl 2-(cyclopropylamino)-2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanoate?
The InChIKey is IYAMYKXPBWHGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12-10-13(12)11-18(3)9-5-8-16(2,15(19)20-4)17-14-6-7-14/h12-14,17H,5-11H2,1-4H3.
What are the key properties of methyl 2-(cyclopropylamino)-2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanoate?
methyl 2-(cyclopropylamino)-2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanoate has a molecular weight of 282.43 g/mol, XLogP of 2.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanoate is sourced from PubChem (CID 63864868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).