2-amino-1-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-3-methylpentan-1-one;hydrochloride

C14H29ClN2O3 — CID 119809795

IUPAC2-amino-1-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-3-methylpentan-1-one;hydrochloride
SMILESCCC(C)C(N)C(=O)N1CCC(COCCOC)C1.Cl
InChIInChI=1S/C14H28N2O3.ClH/c1-4-11(2)13(15)14(17)16-6-5-12(9-16)10-19-8-7-18-3;/h11-13H,4-10,15H2,1-3H3;1H
InChIKeyWEYZXYCPJRHIGF-UHFFFAOYSA-N
MW308.85 g/mol
LogP1.29
Rot. Bonds8

About 2-amino-1-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-3-methylpentan-1-one;hydrochloride

2-amino-1-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-3-methylpentan-1-one;hydrochloride (PubChem CID 119809795) has the molecular formula C14H29ClN2O3 and a molecular weight of 308.85 g/mol. Its IUPAC name is 2-amino-1-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-3-methylpentan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-3-methylpentan-1-one;hydrochloride
PubChem CID119809795
Molecular FormulaC14H29ClN2O3
Molecular Weight308.85 g/mol
Exact Mass308.19
IUPAC Name2-amino-1-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-3-methylpentan-1-one;hydrochloride
SMILESCCC(C)C(N)C(=O)N1CCC(COCCOC)C1.Cl
InChIInChI=1S/C14H28N2O3.ClH/c1-4-11(2)13(15)14(17)16-6-5-12(9-16)10-19-8-7-18-3;/h11-13H,4-10,15H2,1-3H3;1H
InChIKeyWEYZXYCPJRHIGF-UHFFFAOYSA-N
XLogP1.29
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 51.29
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

2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylpentan-1-one
CID 103810688
(2S)-2-amino-1-[3-(ethoxymethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119341199
(2S,3S)-2-amino-3-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)pentan-1-one
CID 103833315
2-amino-1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one
CID 103950641
(2S)-2-amino-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methylpentan-1-one
CID 103942735
2-amino-1-(3-methoxypiperidin-1-yl)-3-methylpentan-1-one;hydrochloride
CID 119729761
(2S)-2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methylpentan-1-one
CID 104940920
(2S,3S)-2-amino-1-(3-hydroxyazetidin-1-yl)-3-methylpentan-1-one
CID 103950797
(2S,3S)-2-amino-1-[4-[(2S,3S)-2-amino-3-methylpentanoyl]piperazin-1-yl]-3-methylpentan-1-one
CID 10667783
2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one
CID 103810273
(1-aminocyclopentyl)-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119338489
2-amino-1-(3,4-dimethylpiperazin-1-yl)-3-methylpentan-1-one
CID 63634723

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-3-methylpentan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-3-methylpentan-1-one;hydrochloride (CID 119809795) is 2-amino-1-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-3-methylpentan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-3-methylpentan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-3-methylpentan-1-one;hydrochloride is CCC(C)C(N)C(=O)N1CCC(COCCOC)C1.Cl.
What is the InChIKey of 2-amino-1-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-3-methylpentan-1-one;hydrochloride?
The InChIKey is WEYZXYCPJRHIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3.ClH/c1-4-11(2)13(15)14(17)16-6-5-12(9-16)10-19-8-7-18-3;/h11-13H,4-10,15H2,1-3H3;1H.
What are the key properties of 2-amino-1-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-3-methylpentan-1-one;hydrochloride?
2-amino-1-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-3-methylpentan-1-one;hydrochloride has a molecular weight of 308.85 g/mol, XLogP of 1.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-3-methylpentan-1-one;hydrochloride is sourced from PubChem (CID 119809795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).