N-[3-(aminomethyl)pentan-3-yl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride

C14H28ClN3O3 — CID 119568769

IUPACN-[3-(aminomethyl)pentan-3-yl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)C1CC(=O)N(CCOC)C1.Cl
InChIInChI=1S/C14H27N3O3.ClH/c1-4-14(5-2,10-15)16-13(19)11-8-12(18)17(9-11)6-7-20-3;/h11H,4-10,15H2,1-3H3,(H,16,19);1H
InChIKeyUOHKWPHHHQPVDS-UHFFFAOYSA-N
MW321.85 g/mol
LogP0.54
Rot. Bonds8

About N-[3-(aminomethyl)pentan-3-yl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119568769) has the molecular formula C14H28ClN3O3 and a molecular weight of 321.85 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
PubChem CID119568769
Molecular FormulaC14H28ClN3O3
Molecular Weight321.85 g/mol
Exact Mass321.18
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)C1CC(=O)N(CCOC)C1.Cl
InChIInChI=1S/C14H27N3O3.ClH/c1-4-14(5-2,10-15)16-13(19)11-8-12(18)17(9-11)6-7-20-3;/h11H,4-10,15H2,1-3H3,(H,16,19);1H
InChIKeyUOHKWPHHHQPVDS-UHFFFAOYSA-N
XLogP0.54
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-tert-butyl-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 94046054
N-[3-(aminomethyl)pentan-3-yl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119572050
N-[3-(aminomethyl)pentan-3-yl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119571342
N-[3-(aminomethyl)pentan-3-yl]-1-benzyl-5-oxopyrrolidine-3-carboxamide
CID 119570033
N-(2-amino-2-methylpropyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 119625881
1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 17389931
(2S)-2-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 92919690
N-(2-amino-2-oxoethoxy)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 112550970
N-(1-hydroxypentan-3-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 115767487
N-[2-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 119609306
N-[3-(aminomethyl)pentan-3-yl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119568934
N-[3-(aminomethyl)pentan-3-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119571436

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride (CID 119568769) is N-[3-(aminomethyl)pentan-3-yl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride is CCC(CC)(CN)NC(=O)C1CC(=O)N(CCOC)C1.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is UOHKWPHHHQPVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3.ClH/c1-4-14(5-2,10-15)16-13(19)11-8-12(18)17(9-11)6-7-20-3;/h11H,4-10,15H2,1-3H3,(H,16,19);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 321.85 g/mol, XLogP of 0.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119568769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).