methyl 4-(3-methoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoate

C15H30N2O3 — CID 103538071

IUPACmethyl 4-(3-methoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoate
SMILESCCCNC(C)(CC(C)N1CCC(OC)C1)C(=O)OC
InChIInChI=1S/C15H30N2O3/c1-6-8-16-15(3,14(18)20-5)10-12(2)17-9-7-13(11-17)19-4/h12-13,16H,6-11H2,1-5H3
InChIKeyAVIBYZCGUQEYHQ-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.42
Rot. Bonds8

About methyl 4-(3-methoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoate

methyl 4-(3-methoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoate (PubChem CID 103538071) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is methyl 4-(3-methoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoate.

Molecular Properties

Compound Namemethyl 4-(3-methoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoate
PubChem CID103538071
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Namemethyl 4-(3-methoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoate
SMILESCCCNC(C)(CC(C)N1CCC(OC)C1)C(=O)OC
InChIInChI=1S/C15H30N2O3/c1-6-8-16-15(3,14(18)20-5)10-12(2)17-9-7-13(11-17)19-4/h12-13,16H,6-11H2,1-5H3
InChIKeyAVIBYZCGUQEYHQ-UHFFFAOYSA-N
XLogP1.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-(3-methoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoate with MolForge

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Related Compounds

ethyl 2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)pentanoate
CID 64710612
methyl 2-(cyclopropylamino)-4-(3-methoxypiperidin-1-yl)-2-methylpentanoate
CID 102966545
methyl 4-(3,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanoate
CID 64702654
ethyl 4-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoate
CID 102966600
4-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid
CID 64703620
methyl 2-(cyclopropylamino)-2-methyl-4-(3-methylpyrrolidin-1-yl)pentanoate
CID 64709444
1-butan-2-yl-3-methoxypyrrolidine
CID 146427472
4-(4-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64709380
methyl 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentanoate
CID 64705542
methyl 4-imidazol-1-yl-2-methyl-2-(propylamino)pentanoate
CID 64704484
3-(3-methoxypyrrolidin-1-yl)-N-methylbutan-1-amine
CID 103539768
methyl 4-ethylsulfanyl-2-methyl-2-(propylamino)pentanoate
CID 64710823

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-methoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoate?
The IUPAC name of methyl 4-(3-methoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoate (CID 103538071) is methyl 4-(3-methoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoate.
What is the SMILES notation for methyl 4-(3-methoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoate?
The canonical SMILES for methyl 4-(3-methoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoate is CCCNC(C)(CC(C)N1CCC(OC)C1)C(=O)OC.
What is the InChIKey of methyl 4-(3-methoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoate?
The InChIKey is AVIBYZCGUQEYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-6-8-16-15(3,14(18)20-5)10-12(2)17-9-7-13(11-17)19-4/h12-13,16H,6-11H2,1-5H3.
What are the key properties of methyl 4-(3-methoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoate?
methyl 4-(3-methoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoate has a molecular weight of 286.42 g/mol, XLogP of 1.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-methoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoate is sourced from PubChem (CID 103538071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).